기본 정보
- CAS
74499-55-1- 표준 SMILES
Cc1cc(N=Nc2c(NCCc3ccc(S(=O)(=O)[O-])cc3)nc(NCCO)c(C#N)c2C)c(C)cc1N=Nc1cccc(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
ZSSYEBOSOMQARW-UHFFFAOYSA-L- 분자식
- C31H30N8Na2O7S2
- 평균 분자량
- 736.7 g/mol
- 단동위원소 질량
- 736.14742624
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)
- IUPAC
- disodium;3-[[4-[[5-cyano-6-(2-hydroxyethylamino)-4-methyl-2-[2-(4-sulfonatophenyl)ethylamino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzenesulfonate
- 영어명
- Benzenesulfonic acid,3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-,disodium salt
- 분자식
- C31H32N8O7S2.2Na
- 분자량
- 738.76
이름 및 동의어
74499-55-1DTXSID60890348Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)Benzenesulfonic acid, 3-((4-((5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)azo)-2,5-dimethylphenyl)azo)-, disodium saltBenzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium saltBenzenesulfonic acid, 3-[2-[4-[2-[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:2)RefChem:117896DTXCID601079335616-103-4ZSSYEBOSOMQARW-UHFFFAOYSA-LDisodium 3-({4-[(5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-{[2-(4-sulfonatophenyl)ethyl]amino}pyridin-3-yl)diazenyl]-2,5-dimethylphenyl}diazenyl)benzene-1-sulfonate
물성
구조 계산 물성
- 극성 표면적
- 262 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,330
물리화학적 성질
- EPA
- 3 · Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium salt (74499-55-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium salt
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 3-[2-[4-[2-[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:2): ACTIVE
관련 반응
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