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9-Aminoacridine

HCID 7019
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
90-45-9
Standard SMILES
Nc1c2ccccc2nc2ccccc12
InChIKey
XJGFWWJLMVZSIG-UHFFFAOYSA-N
Molecular formula
C13H10N2
Average molar mass
194.23 g/mol
Monoisotopic mass
194.08439833

Names & identifiers

Preferred name
9-Aminoacridine
IUPAC
acridin-9-amine
English name
9-Aminoacridine
Molecular formula
C13H10N2
Molecular weight
194.23

Names & synonyms

9-AMINOACRIDINE90-45-9Acridin-9-amineAminacrine9-AcridinamineAminoacridineAminacrinIzoacridina10-Amino-5-azaanthraceneAminoacridinaAcridine, 9-amino-Aminoacridinum
Show more names
9AAAcramineAcriflexNSC 13000NSC 28747
5-AminoacridineNSC-1300078OY3Z0P7ZDTXSID2024456CHEBI:74789NSC13000NSC28747Aminoacrine

Database identifiers

CAS
90-45-9
PubChem CID
7019
DTXSID
DTXSID2024456
ChEMBL
CHEMBL43184
ChEBI
CHEBI:74789
UNII
78OY3Z0P7Z
EC Number
201-995-6
Nikkaji
J3.917I、J761.367I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
38.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
207

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point466 °F (NTP, 1992)
Physical Description9-aminoacridine appears as yellow needles. Free soluble in alcohol.
Kovats Retention Index2240;2240
Collision Cross Section · 3 items

139.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7024457];138.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7024457];139.0 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7024457];138.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7024457]

136.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

147.66 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];131.39 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];135 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 9-Acridinamine

9-Aminoacridine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include gastrointestinal mucosa irritation, nausea and vomiting.;ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx. (NTP, 1992)

Chemistry & industry

Pharmacology

ATC Code · 2 items

D - Dermatologicals;D08 - Antiseptics and disinfectants;D08A - Antiseptics and disinfectants;D08AA - Acridine derivatives;D08AA02 - Aminoacridine

QD - Dermatologicals;QD08 - Antiseptics and disinfectants;QD08A - Antiseptics and disinfectants;QD08AA - Acridine derivatives;QD08AA02 - Aminoacridine

MeSH Pharmacological Classification · 4 items

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.

Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Uses & manufacturing

UsesSynthetic Polymer MALDI Matrix Compounds
Applications · 4 items

UsesAcridine analog. DNA intercalating agent.

Usesantibacterial

A MALDI matrix exhibiting low background and good sensitivity in the analysis of low molecular weight anions, such as metabolites, in negative mode

Related reactions

12 records
New reaction record
HRID 356846 reaction equation
HRID 356846As productuspto-grants-1998_11
HRID 357488 reaction equation
HRID 357488As productuspto-grants-1998_11
HRID 362191 reaction equation
HRID 362191As productuspto-grants-1999_02
HRID 393884 reaction equation
HRID 393884As reactantuspto-grants-2004_10
HRID 479987 reaction equation
HRID 479987As reactantuspto-grants-2003_11
HRID 852829 reaction equation
HRID 852829As reactantuspto-grants-2007_08
HRID 953250 reaction equation
HRID 953250As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1018752 reaction equation
HRID 1018752As reactantuspto-grants-2002_11
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Melting point
238 · 238-240℃
Boiling point
320.68 °C · 320.68°C (rough estimate)
Density
1.268 · 1.268
refractive index
1.5014 · 1.5014 (estimate)
storage temp.
30 °C · Store below +30°C.
solubility
ethanol: hazy
pka
9.99 · 9.99(at 20℃)
form
Solid
color
Yellow
Water Solubility
11.65 mg/L · 11.65mg/L(24 ºC)
λmax
406 nm · 406nm(DMF)(lit.)
Merck
14 · 14,407
Stability
Stable. Incompatible with strong oxidizing agents.
InChI
1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)
InChIKey
XJGFWWJLMVZSIG-UHFFFAOYSA-N
SMILES
Nc1c2ccccc2nc3ccccc13
CAS DataBase Reference
90 · 90-45-9(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
78 OY3Z0P7Z · 78OY3Z0P7Z
ATC code
8 AA02 · D08AA02
EPA Substance Registry System
9 · 9-Aminoacridine (90-45-9)
UNSPSC Code
12352116 · 12352116
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335-H410
Precautionary statements
261 · P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
target organs
Respiratory system
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
RIDADR
2811 · 2811
WGK Germany
3 · 3
RTECS
7300000 · AR7300000
HS Code
2933 · 2933 99 80
HazardClass
6.1 · 6.1(b)
PackingGroup
III
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity
50 intraperitoneal · LD50 intraperitoneal in mouse: 68mg/kg
Reactive Group
Amines, Phosphines, and Pyridines;Hydrocarbons, Aromatic
Reactivity Profile · 1 item

9-AMINOACRIDINE is a moderately strong base. Neutralizes acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.5%)

Safety & protection

Fire FightingFires involving this material can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Regulatory information

Regulatory Information · 2 items

Chemical: 9-Acridinamine

9-Aminoacridine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
rtecs
AR7300000
ridadr
2811
hs_code
2933 99 80
Toxicity
LD50 intraperitoneal in mouse: 68mg/kg
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_code
Xi
safety_code
26-36
hazard_class
6.1(b)
Storage Class
11 - Combustible Solids
packing_group
III
target organs
Respiratory system
Hazard statements
H302-H315-H319-H335-H410
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
Uses

General DescriptionYellow needles. Free soluble in alcohol.

Upstream & downstream products

Upstream raw materials

Phosphorus pentachloride9-ChloroacridineAnthranilic acid

Downstream products

Kallikrein

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ChemeGen 中国18818260767 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉科美沃化工有限公司027-85736489 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
阜阳金胜凯医药科技有限公司18915409046 · [email protected]
Additional notes · 1 item

DefinitionChEBI: An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections