기본 정보
- CAS
65151-29-3- 표준 SMILES
Cc1cc(N)ccc1N=Nc1ccc(N=Nc2ccc(N=Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)c(C)c2)c(C)c1- InChIKey
DCRRTQJSBNJXRG-UHFFFAOYSA-N- 분자식
- C31H27N7O6S2
- 평균 분자량
- 657.7 g/mol
- 단동위원소 질량
- 657.14642395
이름 및 식별자
- 우선 이름
- 7-(2-(4-(2-(4-(2-(4-Amino-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-1,3-naphthalenedisulfonic acid
- IUPAC
- 7-[[4-[[4-[(4-amino-2-methylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
이름 및 동의어
65151-29-37-(2-(4-(2-(4-(2-(4-Amino-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-1,3-naphthalenedisulfonic acid7-[2-[4-[2-[4-[2-(4-Amino-2-methylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-1,3-naphthalenedisulfonic acidRefChem:3100721,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[(4-amino-2-methylphenyl)azo]-2-methylphenyl]azo]-2-methylphenyl]azo]-1,3-Naphthalenedisulfonic acid, 7-((4-((4-((4-amino-2-methylphenyl)azo)-2-methylphenyl)azo)-2-methylphenyl)azo)-CHEMBL1945589DTXSID3070256DCRRTQJSBNJXRG-UHFFFAOYSA-N1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-(2-(4-amino-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-7-{[4-({4-[(4-Amino-2-methylphenyl)diazenyl]-2-methylphenyl}diazenyl)-2-methylphenyl]diazenyl}naphthalene-1,3-disulfonic acid
데이터베이스 식별자
- CAS
65151-29-3- PubChem CID
- 103263
- DTXSID
DTXSID3070256- ChEMBL
CHEMBL1945589- Nikkaji
- J453.318F
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 226 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,330
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[2-(4-amino-2-methylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-: INACTIVE
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