4,4-diphenyl-N-(propan-2-yl)cyclohexan-1-amine hydrochloride

• ChemBase编号: 176857
• 分子式: C21H28ClN
• 平均质量: 329.90672
• 单一同位素质量: 329.19102758
• SMILES: C1CC(CCC1(c1ccccc1)c1ccccc1)NC(C)C.Cl
• Canonical SMILES: CC(NC1CCC(CC1)(c1ccccc1)c1ccccc1)C.Cl
• InChI: InChI=1S/C21H27N.ClH/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H
• InChIKey: BMBNXHMQMNPCIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4-diphenyl-N-(propan-2-yl)cyclohexan-1-amine hydrochloride
• IUPAC传统名: N-isopropyl-4,4-diphenylcyclohexan-1-amine hydrochloride
• 别名: N-(1-Methylethyl)-4,4-diphenylcyclohexanamine Hydrochloride; N-Isopropyl-4,4-diphenylcyclohexylamine Hydrochloride; EMD 9806; HSp 2986; Monoverin; Sistalgin; Pramiverin Hydrochloride

登记号

• CAS号: 14334-41-9
• PubChem SID: 164232767
• PubChem CID: 197926

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.9956725
• LogD (pH = 7.4): 2.1953228
• Log P: 5.2344494
• 摩尔折射率: 104.5831 cm^3
• 极化性: 37.341663 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - P700780

A cyclohexanamine derivative with spasmolytic and analgesic activity. An effective anticholinergic agent.

参考文献

• Chieri, R. A.: Arzneim.-Forsch., 26, 696 (1976)
• Enenkel, H.J.: Arzneim.-Forsch., 26, 690 (1976)