기본 정보
- CAS
126-85-2- 표준 SMILES
C[N+]([O-])(CCCl)CCCl- InChIKey
AFLXUQUGROGEFA-UHFFFAOYSA-N- 분자식
- C5H11Cl2NO
- 평균 분자량
- 172.05 g/mol
- 단동위원소 질량
- 171.0217694
개요
Nitrogen Mustard N-oxide can cause cancer according to an independent committee of scientific and health experts.
이름 및 식별자
- 우선 이름
- Mechlorethamine Oxide
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
- 현지명
- 나이트로젠 머스타드 N-산화물
- 영어명
- NITROMIN
- 분자식
- C5H11Cl2NO
- 분자량
- 172.05
이름 및 동의어
Nitrogen mustard N-oxide126-85-2Mechlorethamine oxideDTXSID70209762,2'-Dichloro-N-methyldiethylamine-N-oxide2Q86QAR1PNMethylbis(beta-chloroethyl)amine N-oxideDTXCID10976Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, N-oxideNSC-141949RefChem:1660982-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
이름 더 보기
나이트로젠머스타드N-산화물나이트로젠머스타드N-산화물N,N-비스(2-클로로에틸)메틸아민-N-옥사이드N,N-비스(2-클로로에틸)메틸아민-N-옥사이드및그염류니트로민MBAONITROMINNITROGENMUSTARDN-OXIDENitrogen mustard oxideN,N-Bis(2-chloroethyl)methylamine oxidebis(2-chloroethyl)(methyl)amine N-oxide
Nitrogen mustard (HN-2), N-oxideOxy-NH2HN2 amine oxideHN2 oxide mustard2-Chloro-N-(2-chloroethyl)-N-methylethan-1-amine oxideN-Oxyd-lost [German]N-Oxyd-mustard [German]N-Oxyd-mustard
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 18.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 73.4
실험 및 물리화학적 성질
Chemical ClassesCarcinogens
물리화학적 성질
- 밀도
- 1.1184 · 1.1184 (rough estimate)
- 굴절률
- 1.568 · 1.5680 (estimate)
- 산도 계수 (pKa)
- 4.54 · 4.54±0.50(Predicted)
- EPA
- Nitrogen mustard (HN-2), N-oxide (126-85-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H340: May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H340: May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Hazard Traits - Carcinogenicity
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Germ cell mutagenicity - Category 1B
Germ cell mutagenicity - Category 1B
Carcinogens
독성 정보
Carcinogen Classification
Nitrogen mustard N-oxide
Group 2B: Possibly carcinogenic to humans
Volume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium
1987
1987
안전 데이터
- 독성
- LD50 intraperitoneal in mouse: 100mg/kg
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Chemicals that are used to cause the disturbance, disease, or death of humans during WARFARE.
Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
공급사4 곳
United States Biological Inc.[email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd(852)2541 2772 · [email protected]
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