cyclopropyl(6-methylpyridin-2-yl)methanamine dihydrochloride

• ChemBase编号: 144145
• 分子式: C10H16Cl2N2
• 平均质量: 235.15344
• 单一同位素质量: 234.06905388
• SMILES: Cc1cccc(n1)C(C1CC1)N.Cl.Cl
• Canonical SMILES: NC(c1cccc(n1)C)C1CC1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-7-3-2-4-9(12-7)10(11)8-5-6-8;;/h2-4,8,10H,5-6,11H2,1H3;2*1H
• InChIKey: BNLQWXVWUIQAOA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: cyclopropyl(6-methylpyridin-2-yl)methanamine dihydrochloride
• IUPAC传统名: cyclopropyl(6-methylpyridin-2-yl)methanamine dihydrochloride
• 别名: 1-Cyclopropyl-1-(6-methyl-2-pyridinyl)methanamine dihydrochloride

登记号

• MDL号: MFCD18071209
• PubChem SID: 162238362
• PubChem CID: 50944253

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7954714
• LogD (pH = 7.4): -0.42042127
• Log P: 1.0867175
• 摩尔折射率: 48.1311 cm^3
• 极化性: 19.371246 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H16Cl2N2

详细说明

Sigma Aldrich - CBR00678

Other Notes
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