기본 정보
- CAS
68156-17-2- 표준 SMILES
CCN(CCC#N)c1ccc(C(=C2C=CC(=[N+](CC)CCC#N)C=C2)c2ccccc2Cl)cc1.[Cl-]- InChIKey
PHOQDUAOIRSHNL-UHFFFAOYSA-M- 분자식
- C29H30Cl2N4
- 평균 분자량
- 505.5 g/mol
- 단동위원소 질량
- 504.1847524
이름 및 식별자
- 우선 이름
- Ethanaminium, N-[4-[(2-chlorophenyl)[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-2-cyano-N-ethyl-, chloride (1:1)
- IUPAC
- [4-[(2-chlorophenyl)-[4-[2-cyanoethyl(ethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-ethylazanium chloride
이름 및 동의어
EINECS 269-008-168156-17-2DTXSID90887221Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride6-((2-Chlorophenyl)(4-(N-ethyl-N-beta-cyanoethylamino)phenyl)methylene)-1,4-cyclohexadiene-3-(N-ethyl-N-(beta-cyanoethyl)iminium) chlorideEthanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride (1:1)Ethanaminium, N-[4-[(2-chlorophenyl)[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-2-cyano-N-ethyl-, chloride (1:1)Ethanaminium, N-[4-[(2-chlorophenyl)[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-2-cyano-N-ethyl-, chlorideRefChem:138110DTXCID401026528PHOQDUAOIRSHNL-UHFFFAOYSA-MNS00124611
이름 더 보기
4-((2-Chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)(2-cyanoethyl)ethylammonium chloride4-[(2-Chlorophenyl){4-[(2-cyanoethyl)(ethyl)amino]phenyl}methylidene]-N-(2-cyanoethyl)-N-ethylcyclohexa-2,5-dien-1-iminium chloride
물성
구조 계산 물성
- 극성 표면적
- 53.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 824
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanaminium, N-[4-[(2-chlorophenyl)[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-2-cyano-N-ethyl-, chloride (1:1): INACTIVE
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