[1-(morpholin-4-ylmethyl)cyclopropyl]methanamine dihydrochloride

• ChemBase编号: 310270
• 分子式: C9H20Cl2N2O
• 平均质量: 243.1739
• 单一同位素质量: 242.09526863
• SMILES: C1(CC1)(CN1CCOCC1)CN.Cl.Cl
• Canonical SMILES: NCC1(CC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c10-7-9(1-2-9)8-11-3-5-12-6-4-11;;/h1-8,10H2;2*1H
• InChIKey: HDJXERCXTSMRGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(morpholin-4-ylmethyl)cyclopropyl]methanamine dihydrochloride
• IUPAC传统名: [1-(morpholin-4-ylmethyl)cyclopropyl]methanamine dihydrochloride
• 别名: {[1-(4-morpholinylmethyl)cyclopropyl]methyl}amine dihydrochloride

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.5183353
• LogD (pH = 7.4): -2.7078605
• Log P: -0.25740582
• 摩尔折射率: 48.8349 cm^3
• 极化性: 19.593437 Å^3
• 极化表面积: 38.49 Å^2