基本情報
- CAS
68156-17-2- 標準SMILES
CCN(CCC#N)c1ccc(C(=C2C=CC(=[N+](CC)CCC#N)C=C2)c2ccccc2Cl)cc1.[Cl-]- InChIKey
PHOQDUAOIRSHNL-UHFFFAOYSA-M- 分子式
- C29H30Cl2N4
- 平均分子量
- 505.5 g/mol
- 単同位体質量
- 504.1847524
名称と識別子
- 優先名称
- 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
名称と別名
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
名称をさらに表示
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
物性
構造計算による物性
- 極性表面積
- 53.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 824
化学と産業
用途と製造
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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