기본 정보
- CAS
63148-77-6- 표준 SMILES
CC(C)(C)NS(=O)(=O)c1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(NS(C)(=O)=O)cccc2c1O- InChIKey
XFRJLKYCTFMGRC-UHFFFAOYSA-N- 분자식
- C21H24N4O8S3
- 평균 분자량
- 556.6 g/mol
- 단동위원소 질량
- 556.07562726
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-(2-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)diazenyl)-
- IUPAC
- 4-[[3-(tert-butylsulfamoyl)-4-hydroxy-8-(methanesulfonamido)naphthalen-1-yl]diazenyl]benzenesulfonic acid
- 영어명
- 4-[[3-[[(1,1-dimethylethyl)amino]sulphonyl]-4-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonic acid
- 분자식
- C21H24N4O8S3
- 분자량
- 556.63
이름 및 동의어
Benzenesulfonic acid, 4-(2-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)diazenyl)-Benzenesulfonic acid, 4-[2-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]diazenyl]-RefChem:56441163148-77-64Y50LD1XTWBenzenesulfonic acid, 4-((3-(((1,1-dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)azo)-Benzenesulfonic acid, 4-[[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]azo]-4-(2-(3-(((1,1-Dimethylethyl)amino)sulfonyl)-4-hydroxy-8-((methylsulfonyl)amino)-1-naphthalenyl)diazenyl)benzenesulfonic acidEINECS 263-929-2UNII-4Y50LD1XTWDTXSID4069717XFRJLKYCTFMGRC-UHFFFAOYSA-N
이름 더 보기
4-[[3-[[(1,1-dimethylethyl)amino]sulphonyl]-4-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonic acid4-[[3-[[(1,1-Dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]azo]benzenesulfonic acid
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 217 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- EPA
- 4 · Benzenesulfonic acid, 4-[[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]azo]- (63148-77-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-[2-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-hydroxy-8-[(methylsulfonyl)amino]-1-naphthalenyl]diazenyl]-: INACTIVE
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