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9-아미노아크리딘

9-Aminoacridine

HCID 7019
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
90-45-9
표준 SMILES
Nc1c2ccccc2nc2ccccc12
InChIKey
XJGFWWJLMVZSIG-UHFFFAOYSA-N
분자식
C13H10N2
평균 분자량
194.23 g/mol
단동위원소 질량
194.08439833

이름 및 식별자

우선 이름
9-Aminoacridine
IUPAC
acridin-9-amine
현지명
9-아미노아크리딘
영어명
9-Aminoacridine
분자식
C13H10N2
분자량
194.23

이름 및 동의어

9-AMINOACRIDINE90-45-9Acridin-9-amineAminacrine9-AcridinamineAminoacridineAminacrinIzoacridina10-Amino-5-azaanthraceneAminoacridinaAcridine, 9-amino-Aminoacridinum
이름 더 보기
9-아미노아크리딘9AAAcramineAcriflexNSC 13000NSC 28747
5-AminoacridineNSC-1300078OY3Z0P7ZDTXSID2024456CHEBI:74789NSC13000NSC28747Aminoacrine

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.8
극성 표면적
38.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
15
형식 전하
0
복잡도
207

실험 및 물리화학적 성질

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 · 3건

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]

물리화학적 성질

녹는점
238 · 238-240℃
끓는 점
320.68 °C · 320.68°C (rough estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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)
Reactive GroupAmines, Phosphines, and Pyridines;Hydrocarbons, Aromatic

화학 및 산업

약리 정보

ATC Code · 2건

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 · 4건

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.

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds

응용 분야

용도Acridine analog. DNA intercalating agent.

일반 설명Yellow needles. Free soluble in alcohol.

상·하류 제품 정보

관련 반응

12건
반응 기록 만들기
HRID 356846 반응식
HRID 356846생성물로uspto-grants-1998_11
HRID 357488 반응식
HRID 357488생성물로uspto-grants-1998_11
HRID 362191 반응식
HRID 362191생성물로uspto-grants-1999_02
HRID 393884 반응식
HRID 393884반응물로uspto-grants-2004_10
HRID 479987 반응식
HRID 479987반응물로uspto-grants-2003_11
HRID 852829 반응식
HRID 852829반응물로uspto-grants-2007_08
HRID 953250 반응식
HRID 953250반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1018752 반응식
HRID 1018752반응물로uspto-grants-2002_11
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
밀도
1.268 · 1.268
굴절률
1.5014 · 1.5014 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
에탄올: 흐릿함
산도 계수 (pKa)
9.99 · 9.99(at 20℃)
물리적 상태
고체
색상
노란색
수용성
11.65 mg/L · 11.65mg/L(24℃)
Merck
14 · 14,407
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
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
EPA
9 · 9-Aminoacridine (90-45-9)

화학적 성질

yellow crystals or powder

Reactivity Profile · 1건

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%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

규제 정보

Regulatory Information · 2건

Chemical: 9-Acridinamine

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

안전 데이터

wgk
3
rtecs
AR7300000
ridadr
2811
독성
LD50 intraperitoneal in mouse: 68mg/kg
HS 번호
2933 99 80
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
포장분류
III
위험 등급
6.1(b)
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

상류 원료

인 펜타염화물9-클로로아크리딘안트라닐산

하류 제품

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추가 설명 · 1건

정의ChEBI: 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