기본 정보
- CAS
61791-77-3- 표준 SMILES
COS(=O)(=O)[O-].Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1- InChIKey
WFRQCOKYLNHLRB-UHFFFAOYSA-M- 분자식
- C27H31N3O4S
- 평균 분자량
- 493.6 g/mol
- 단동위원소 질량
- 493.20352765
이름 및 식별자
- 우선 이름
- 6-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl)-1-methylquinolinium methyl sulphate
- IUPAC
- 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine;methyl sulfate
이름 및 동의어
61791-77-3EINECS 263-201-46-(Dimethylamino)-2-(2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl)-1-methylquinolinium methyl sulphateDTXSID002107886-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium methyl sulphateRefChem:539688DTXCID30133279263-201-4SCHEMBL19457669WFRQCOKYLNHLRB-UHFFFAOYSA-M2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine;methyl sulfateDB-219672
이름 더 보기
6-(Dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethen-1-yl]-1-methylquinolin-1-ium methyl sulfate
데이터베이스 식별자
- CAS
61791-77-3- PubChem CID
- 108569
- DTXSID
DTXSID00210788- EC Number
- 263-201-4
물성
구조 계산 물성
- 극성 표면적
- 86.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 643
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium methyl sulphate (EC: 263-201-4)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
관련 반응
0건
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