N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline

• ChemBase编号: 229138
• 分子式: C18H24N2O
• 平均质量: 284.39596
• 单一同位素质量: 284.1888634
• SMILES: C1(=CCC/C/1=C\c1ccc(N(C)C)cc1)N1CCOCC1
• Canonical SMILES: CN(c1ccc(cc1)/C=C/1\CCC=C1N1CCOCC1)C
• InChI: InChI=1S/C18H24N2O/c1-19(2)17-8-6-15(7-9-17)14-16-4-3-5-18(16)20-10-12-21-13-11-20/h5-9,14H,3-4,10-13H2,1-2H3/b16-14+
• InChIKey: WGMNUQUKRBYPGL-JQIJEIRASA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline
• IUPAC传统名: N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline
• 别名: Dimethyl-[4-(2-morpholin-4-yl-cyclopent-2-enylidenemethyl)-phenyl]-amine

登记号

• MDL号: MFCD02691128
• PubChem SID: 164285048
• PubChem CID: 2326777

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6941965
• LogD (pH = 7.4): 2.745041
• Log P: 2.8005779
• 摩尔折射率: 91.3384 cm^3
• 极化性: 33.546017 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95%