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Aminoacridin

9-Aminoacridine

HCID 7019
NotizenReaktionen
GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
90-45-9
Standard-SMILES
Nc1c2ccccc2nc2ccccc12
InChIKey
XJGFWWJLMVZSIG-UHFFFAOYSA-N
Summenformel
C13H10N2
Durchschnittliche Molmasse
194,23 g/mol
Monoisotopische Masse
194,08439833

Namen und Bezeichner

Bevorzugter Name
9-Aminoacridine
IUPAC
acridin-9-amine
Lokaler Name
Aminoacridin
Englischer Name
9-Aminoacridine
Summenformel
C13H10N2
Molmasse
194.23

Namen und Synonyme

9-AMINOACRIDINE90-45-9Acridin-9-amineAminacrine9-AcridinamineAminoacridineAminacrinIzoacridina10-Amino-5-azaanthraceneAminoacridinaAcridine, 9-amino-Aminoacridinum
Weitere Namen anzeigen
9AAAcramineAcriflexNSC 13000NSC 28747
5-AminoacridineNSC-1300078OY3Z0P7ZDTXSID2024456CHEBI:74789NSC13000NSC28747Aminoacrine

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
38,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
15
Formalladung
0
Komplexität
207

Experimentelle und physikochemische Eigenschaften

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 Einträge

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]

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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)

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

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 Einträge

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.

Verwendung und Herstellung

UsesSynthetic Polymer MALDI Matrix Compounds

Anwendungen

VerwendenAcridine analog. DNA intercalating agent.

Vor- und nachgelagerte Produkte

Zugehörige Reaktionen

12
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 356846
HRID 356846als Produktuspto-grants-1998_11
Reaktionsgleichung von HRID 357488
HRID 357488als Produktuspto-grants-1998_11
Reaktionsgleichung von HRID 362191
HRID 362191als Produktuspto-grants-1999_02
Reaktionsgleichung von HRID 393884
HRID 393884als Eduktuspto-grants-2004_10
Reaktionsgleichung von HRID 479987
HRID 479987als Eduktuspto-grants-2003_11
Reaktionsgleichung von HRID 852829
HRID 852829als Eduktuspto-grants-2007_08
Reaktionsgleichung von HRID 953250
HRID 953250als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 1018752
HRID 1018752als Eduktuspto-grants-2002_11
Seite 1 von 2

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Schmelzpunkt
238 · 238-240℃
Siedepunkt
320.68 °C · 320.68°C (rough estimate)
Dichte
1.268 · 1.268
Brechungsindex
1.5014 · 1.5014 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
ethanol: hazy
pka
9.99 · 9.99(at 20℃)
Aggregatzustand
Solid
Farbe
Yellow
Wasserlöslichkeit
11.65 mg/L · 11.65mg/L(24 ºC)
Merck
14 · 14,407
Stabilität
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 Datenbank
90 · 90-45-9(CAS DataBase Reference)
EPA chemische Informationen
9 · 9-Aminoacridine (90-45-9)
Reactive GroupAmines, Phosphines, and Pyridines;Hydrocarbons, Aromatic
Reactivity Profile · 1 Eintrag

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%)

Sicherheit und Schutzausrüstung

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

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 Eintrag

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 Eintrag

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)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 9-Acridinamine

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

Sicherheitsdaten

wgk
3
ridadr
2811
hs_code
2933 99 80
RTECS-Nr.
AR7300000
risk_code
36/37/38
Toxizität
LD50 intraperitoneal in mouse: 68mg/kg
hazard_code
Xi
safety_code
26-36
hazard_class
6.1(b)
packing_group
III
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Vorgelagerte Rohstoffe

Pentachlorphosphoran9-ChloracridinAnthranilic acid

Nachgelagerte Produkte

Kallikrein

Anbieter100 Anbieter

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Ergänzende Hinweise · 1 Eintrag

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