1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride

• ChemBase编号: 143968
• 分子式: C9H22Cl2N2
• 平均质量: 229.19038
• 单一同位素质量: 228.11600407
• SMILES: CN(C)C1(CCCCC1)CN.Cl.Cl
• Canonical SMILES: NCC1(CCCCC1)N(C)C.Cl.Cl
• InChI: InChI=1S/C9H20N2.2ClH/c1-11(2)9(8-10)6-4-3-5-7-9;;/h3-8,10H2,1-2H3;2*1H
• InChIKey: IKCDZDXEAGHUAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride
• IUPAC传统名: 1-(aminomethyl)-N,N-dimethylcyclohexan-1-amine dihydrochloride
• 别名: 1-(Aminomethyl)-N,N-dimethylcyclohexanamine dihydrochloride

登记号

• MDL号: MFCD13031909
• PubChem SID: 162238185
• PubChem CID: 21409922

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.7924259
• LogD (pH = 7.4): -1.603527
• Log P: 1.1162249
• 摩尔折射率: 48.8417 cm^3
• 极化性: 19.657892 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

产品相关信息

• Empirical Formula (Hill Notation): C9H22Cl2N2

详细说明

Sigma Aldrich - CBR00640

Other Notes
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