기본 정보
- CAS
72828-97-8- 표준 SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2cc(Cl)ccc2C#N)c(C)c1.COS(=O)(=O)[O-]- InChIKey
GVVFWJHJAHHFOX-UHFFFAOYSA-M- 분자식
- C22H30ClN5O4S
- 평균 분자량
- 496 g/mol
- 단동위원소 질량
- 495.1707033
이름 및 식별자
- 우선 이름
- Ethanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium;methyl sulfate
- 영어명
- [2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
- 분자식
- C22H27ClN4O4S
- 분자량
- 496.02
이름 및 동의어
72828-97-8DTXSID10887804EINECS 276-899-02-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium methyl sulfateEthanaminium, 2-((4-((5-chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfateEthanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[2-(5-chloro-2-cyanophenyl)diazenyl]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfateRefChem:138050DTXCID601027089(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphateGVVFWJHJAHHFOX-UHFFFAOYSA-M
이름 더 보기
[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulfate[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
물성
구조 계산 물성
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 625
물리화학적 성질
- EPA
- 2 · Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (72828-97-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
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