(1S,2S)-2-phenylcyclopropan-1-amine hydrochloride

• ChemBase编号: 176537
• 分子式: C9H12ClN
• 平均质量: 169.65128
• 单一同位素质量: 169.06582707
• SMILES: c1cccc(c1)[C@H]1[C@H](C1)N.Cl
• Canonical SMILES: N[C@H]1C[C@H]1c1ccccc1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9-;/m0./s1
• InChIKey: ZPEFMSTTZXJOTM-OZZZDHQUSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2S)-2-phenylcyclopropan-1-amine hydrochloride
• IUPAC传统名: (1S,2S)-2-phenylcyclopropan-1-amine hydrochloride
• 别名: cis-Tranylcypromine Hydrochloride; cis-2-Amino-1-phenyl-cyclopropane Hydrochloride; (1R,2R)-rel-Phenylcyclopropylamine Hydrochloride; rac cis-2-Phenylcyclopropylamine Hydrochloride

登记号

• CAS号: 54779-58-7
• PubChem SID: 164232447
• PubChem CID: 12345945

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.6602782
• LogD (pH = 7.4): -0.82371813
• Log P: 1.3388824
• 摩尔折射率: 41.6966 cm^3
• 极化性: 16.617031 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P319670

cis-2-Phenylcyclopropylamine is a derivative of the amphetamine class of drugs. cis-2-Phenylcyclopropylamineis a non-selective MAO-A/B inhibitor.

参考文献

• Stout, S.C., et al.: J. Pharmacol. Exp. Ther., 300, 1085 (2002)
• Yoshida, S. et al.: Bioorg. Med. Chem., 12, 2645 (2002)