기본 정보
- CAS
6391-21-5- 표준 SMILES
Nc1cccc(N2N=C(C(=O)[O-])C(N=Nc3cccc(NC(=O)c4cccc(N=NC5C(=O)N(c6cccc(N)c6)N=C5C(=O)[O-])c4)c3)C2=O)c1.[Na+].[Na+]- InChIKey
IXTYODUPZPZKHN-UHFFFAOYSA-L- 분자식
- C33H23N11Na2O7
- 평균 분자량
- 731.6 g/mol
- 단동위원소 질량
- 731.15773068
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-, disodium salt
- IUPAC
- disodium;1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxylato-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate
이름 및 동의어
6391-21-51H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-, disodium salt1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-[[3-[[3-[[1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-5-oxo-, disodium saltEINECS 229-000-01H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(3-((3-(2-(1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:2)Disodium 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxylato-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate
데이터베이스 식별자
- CAS
6391-21-5- PubChem CID
- 110840
- EC Number
- 229-000-0
물성
구조 계산 물성
- 극성 표면적
- 276 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,490
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-[2-[3-[[3-[2-[1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl]diazenyl]benzoyl]amino]phenyl]diazenyl]-4,5-dihydro-5-oxo-, sodium salt (1:2): INACTIVE
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