기본 정보
- CAS
25188-34-5- 표준 SMILES
CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccccc6)c(S(=O)(=O)O)cc5c4)ccc3c2O)cc1- InChIKey
ICIJDHUPWYQXGB-UHFFFAOYSA-N- 분자식
- C35H27N7O10S2
- 평균 분자량
- 769.8 g/mol
- 단동위원소 질량
- 769.12608206
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 3-((4-Acetamidophenyl)azo)-4-hydroxy-7-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonic acid
- IUPAC
- 7-[[6-[(4-acetamidophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonic acid
이름 및 동의어
EINECS 246-726-33-((4-Acetamidophenyl)azo)-4-hydroxy-7-((((5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl)amino)carbonyl)amino)naphthalene-2-sulphonic acid3-[(4-acetamidophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonic acidRefChem:488541246-726-325188-34-5C.I. Direct Red 23CHEMBL10927407-[[6-[(4-acetamidophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonic acid3-[2-[4-(Acetylamino)phenyl]diazenyl]-4-hydroxy-7-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-2-naphthalenesulfonic acidSCHEMBL23259402SCHEMBL29637780
이름 더 보기
DTXSID40892289BDBM50328743PD119217PD119218NS000836693-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-6-((E)-phenyldiazenyl)-7-sulfonaphthalen-2-yl)ureido)naphthalene-2-sulfonate3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl)ureido)naphthalene-2-sulfonic acid3-[(4-Acetamidophenyl)diazenyl]-4-hydroxy-7-({[5-hydroxy-6-(phenyldiazenyl)-7-sulfonaphthalen-2-yl]carbamoyl}amino)naphthalene-2-sulfonic acid
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 286 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,590
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
관련 반응
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