1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride

• ChemBase编号: 71990
• 分子式: C9H20Cl2N2
• 平均质量: 227.1745
• 单一同位素质量: 226.10035401
• SMILES: C1C(C1)(N)CN1CCCCC1.Cl.Cl
• Canonical SMILES: NC1(CC1)CN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H
• InChIKey: SENSNWVWDFJLBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• IUPAC传统名: 1-(piperidin-1-ylmethyl)cyclopropan-1-amine dihydrochloride
• 别名: [1-(Piperidin-1-ylmethyl)cyclopropyl]-amine dihydrochloride; 1-(Piperidin-1-ylmethyl)cyclopropanamine dihydrochloride

登记号

• MDL号: MFCD09971211; MFCD18071202
• PubChem SID: 162037254
• PubChem CID: 47000779

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.1997447
• LogD (pH = 7.4): -1.9703966
• Log P: 0.63288504
• 摩尔折射率: 47.1807 cm^3
• 极化性: 18.918522 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT

产品相关信息

• Empirical Formula (Hill Notation): C9H20Cl2N2

详细说明

Sigma Aldrich - CBR00666

Other Notes
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