기본 정보
- CAS
18013-23-5- 표준 SMILES
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1- InChIKey
BUXGNIRDPOLYKO-UHFFFAOYSA-N- 분자식
- C29H25N3O7S2
- 평균 분자량
- 591.7 g/mol
- 단동위원소 질량
- 591.11339249
이름 및 식별자
- 우선 이름
- 1-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 1-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid
- 영어명
- 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid
- 분자식
- C29H25N3O7S2
- 분자량
- 591.6547
이름 및 동의어
18013-23-5EINECS 241-918-31-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acidDTXSID401709182-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulfonyl)amino)methyl)phenyl)amino)-9,10-dioxo-1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-RefChem:429377DTXCID2093409241-918-31-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoa
이름 더 보기
1-Amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[ 4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl ]amino]-9,10-dioxo-
NS000259241-Amino-4-{4-[(N,4-dimethylbenzene-1-sulfonamido)methyl]anilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
데이터베이스 식별자
- CAS
18013-23-5- PubChem CID
- 87400
- DTXSID
DTXSID40170918- EC Number
- 241-918-3
- Nikkaji
- J260.826J
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,180
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% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-
Hazard Classes and CategoriesNot Classified
관련 반응
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