3-benzyl-3-phenylazetidine

• ChemBase编号: 176612
• 分子式: C16H17N
• 平均质量: 223.31288
• 单一同位素质量: 223.13609955
• SMILES: C1(CNC1)(c1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CC1(CNC1)c1ccccc1
• InChI: InChI=1S/C16H17N/c1-3-7-14(8-4-1)11-16(12-17-13-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2
• InChIKey: IHYUPPBWXMLCAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-benzyl-3-phenylazetidine
• IUPAC传统名: 3-benzyl-3-phenylazetidine
• 别名: 3-Phenyl-3-(phenylmethyl)azetidine

登记号

• CAS号: 7215-25-0
• PubChem SID: 164232522
• PubChem CID: 23640

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.171968
• LogD (pH = 7.4): 1.0158608
• Log P: 3.3794081
• 摩尔折射率: 71.1401 cm^3
• 极化性: 28.025833 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P335960

An azetidine derivative that showed slight sympathomimetic effects in animals during pharmacology studies.

参考文献

• Bianchi, B. et al.: Farmaco Ed. Sci., 21, 131 (1966)