1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride

• ChemBase编号: 144038
• 分子式: C8H20Cl2N2
• 平均质量: 215.1638
• 单一同位素质量: 214.10035401
• SMILES: CCN(CC)CC1(CC1)N.Cl.Cl
• Canonical SMILES: CCN(CC1(N)CC1)CC.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-3-10(4-2)7-8(9)5-6-8;;/h3-7,9H2,1-2H3;2*1H
• InChIKey: LBJDKZUWJXSZFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride
• IUPAC传统名: 1-[(diethylamino)methyl]cyclopropan-1-amine dihydrochloride
• 别名: 1-[(Diethylamino)methyl]cyclopropanamine dihydrochloride

登记号

• MDL号: MFCD18071201
• PubChem SID: 162238255
• PubChem CID: 53398809

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.3522882
• LogD (pH = 7.4): -2.1577454
• Log P: 0.49613482
• 摩尔折射率: 44.5359 cm^3
• 极化性: 17.811394 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H20Cl2N2

详细说明

Sigma Aldrich - CBR00665

Other Notes
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