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N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine

HCID 20194
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
64046-79-3
표준 SMILES
COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1
InChIKey
UKOBAUFLOGFCMV-UHFFFAOYSA-N
분자식
C23H28Cl3N3O
평균 분자량
468.8 g/mol
단동위원소 질량
467.129796

개요

Quinacrine mustard is a nitrogen mustard and a member of aminoacridines. It is functionally related to a quinacrine.

이름 및 식별자

우선 이름
N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine
IUPAC
1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine

이름 및 동의어

quinacrine mustard64046-79-3NSC-34248Y3YQP8GW61,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-CHEBI:37595N1,N1-bis(2-Chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamineN(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineACRIDINE, 9-((4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLBUTYL)AMINO)-6-CHLORO-2-METHOXY-N1,N1-BIS(2-CHLOROETHYL-N4-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-1,4-PENTANEDIAMINEYperite, AcrichineMustard, Quinacrine
이름 더 보기
RefChem:9273581,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, dihydrochloride1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamineN4-(6-Chloro-2-methoxyacridin-9-yl)-N1,N1-bis(2-chloroethyl)pentane-1,4-diamineNSC 3424UNII-8Y3YQP8GW6BRN 0056337Acrichine Yperite

데이터베이스 식별자

CAS
64046-79-3
PubChem CID
20194

물성

구조 계산 물성

XLogP
6.5
극성 표면적
37.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
11
무거운 원자 수
30
형식 전하
0
복잡도
494

안전 및 규제

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

유해성 정보

Health HazardsACUTE/CHRONIC HAZARDS: Extremely toxic. Hazardous decomposition products. A mutagen and experimental carcinogen. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

안전 및 보호

Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, 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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol 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 alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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.

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
DTXSID
DTXSID40982194
ChEMBL
CHEMBL1190232
ChEBI
CHEBI:37595
UNII
8Y3YQP8GW6
Nikkaji
J1.122C
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).