기본 정보
- CAS
83968-91-6- 표준 SMILES
CCN(CC)c1ccc(/C(=C2\C(c3ccccc3)=[N+](C)c3ccccc32)c2ccccc2Cl)cc1.O=P([O-])(O)O- InChIKey
WWUPEPSCKXSTIN-UHFFFAOYSA-M- 분자식
- C32H30ClN2.H2O4P
- 평균 분자량
- 575 g/mol
- 단동위원소 질량
- 574.1788222
이름 및 식별자
- 우선 이름
- [4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dihydrogen phosphate
- IUPAC
- 4-[(E)-(2-chlorophenyl)-(1-methyl-2-phenylindol-1-ium-3-ylidene)methyl]-N,N-diethylaniline;dihydrogen phosphate
이름 및 동의어
EINECS 281-569-483968-91-6(4-((2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium dihydrogen phosphateEthanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, phosphate (1:1)[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dihydrogen phosphateEthanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, phosphate (1:1)RefChem:208470281-569-4DTXSID1010042264-[(2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylidene]-N,N-diethylcyclohexa-2,5-dien-1-iminium dihydrogen phosphate
데이터베이스 식별자
- CAS
83968-91-6- PubChem CID
- 44153395
- DTXSID
DTXSID101004226- EC Number
- 281-569-4
물성
구조 계산 물성
- 극성 표면적
- 86.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 816
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, phosphate (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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