(1-cyclohexylpropan-2-yl)(methyl)amine hydrochloride

• ChemBase编号: 177047
• 分子式: C10H22ClN
• 平均质量: 191.74138
• 单一同位素质量: 191.14407739
• SMILES: C1CCCC(C1)CC(C)NC.Cl
• Canonical SMILES: CNC(CC1CCCCC1)C.Cl
• InChI: InChI=1S/C10H21N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: WLEGHNSHAIHZPS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-cyclohexylpropan-2-yl)(methyl)amine hydrochloride
• IUPAC传统名: propylhexedrine hydrochloride
• 别名: N,α-Dimethylcyclohexaneethanamine Hydrochloride; (±)-Propylhexedrine Hydrochloride; Benzedrex Hydrochloride; Cyclohexyl(isopropyl)methylammonium Chloride; Cyclohexylisopropylmethylamine Hydrochloride; Eventin Hydrochloride; NSC 170998; NSC 27110; Propylhexedrine Hydrochloride; dl-Propylhexedrine Hydrochloride; DL-Propylhexedrine Hydrochloride

登记号

• CAS号: 1007-33-6
• PubChem SID: 164232957
• PubChem CID: 102541

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.53163725
• LogD (pH = 7.4): -0.22243364
• Log P: 2.7045949
• 摩尔折射率: 49.5352 cm^3
• 极化性: 19.986317 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 - P837150

Adrenergic (vasoconstrictor); decongestant (nasal).

参考文献

• Midha, K.K., et al.: Xenobiotica, 4, 627 (1974)
• Dutt, M.C., et al.: J. Chromatogr., 248, 115 (1974)