기본 정보
- CAS
25188-53-8- 표준 SMILES
COc1cc(N=Nc2c(C)cc(C)cc2S(=O)(=O)O)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O- InChIKey
XRCOXKGRXOPBFA-UHFFFAOYSA-N- 분자식
- C32H29N5O8S2
- 평균 분자량
- 675.7 g/mol
- 단동위원소 질량
- 675.14575525
이름 및 식별자
- 우선 이름
- 7-Anilino-3-((4-((2,4-dimethyl-6-sulphophenyl)azo)-6-methoxy-m-tolyl)azo)-4-hydroxynaphthalene-2-sulphonic acid
- IUPAC
- 7-anilino-3-[[4-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
- 영어명
- 7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
- 분자식
- C32H29N5O8S2
- 분자량
- 675.73
이름 및 동의어
7-Anilino-3-((4-((2,4-dimethyl-6-sulphophenyl)azo)-6-methoxy-m-tolyl)azo)-4-hydroxynaphthalene-2-sulphonic acid3-(2-(4-(2-(2,4-DIMETHYL-6-SULFOPHENYL)DIAZENYL)-2-METHOXY-5-METHYLPHENYL)DIAZENYL)-4-HYDROXY-7-(PHENYLAMINO)-2-NAPHTHALENESULFONIC ACID7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid3-[2-[4-[2-(2,4-Dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-7-(phenylamino)-2-naphthalenesulfonic acidRefChem:54543125188-53-8Direct Violet 51 free acidC.I. Direct Violet 5196W4PG2770NSC 81745NSC-81745EINECS 246-728-4
이름 더 보기
C.I.DIRECTVIOLET513-[[4-[(2,4-Dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-4-hydroxy-7-phenylamino-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 3-[2-[4-[2-(2,4-dimethyl-6-sulfophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-7-(phenylamino)-
CHEMBL1093991SCHEMBL13182922UNII-96W4PG2770DTXSID00863551XRCOXKGRXOPBFA-UHFFFAOYSA-NC.I. DIRECT VIOLET 51 FREE ACIDNS000839542-NAPHTHALENESULFONIC ACID, 3-((4-((2,4-DIMETHYL-6-SULFOPHENYL)AZO)-2-METHOXY-5-METHYLPHENYL)AZO)-4-HYDROXY-7-(PHENYLAMINO)-
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 216 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,320
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- 기존화학 물질
- KE-01809
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…