1-cyclohexylcyclopropan-1-amine hydrochloride

• ChemBase编号: 144029
• 分子式: C9H18ClN
• 平均质量: 175.69892
• 单一同位素质量: 175.11277726
• SMILES: C1CCC(CC1)C1(CC1)N.Cl
• Canonical SMILES: NC1(CC1)C1CCCCC1.Cl
• InChI: InChI=1S/C9H17N.ClH/c10-9(6-7-9)8-4-2-1-3-5-8;/h8H,1-7,10H2;1H
• InChIKey: GIMBZOOSMKZBBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclohexylcyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-cyclohexylcyclopropan-1-amine hydrochloride
• 别名: (1-Cyclohexylcyclopropyl)amine hydrochloride

登记号

• MDL号: MFCD15204094
• PubChem SID: 162238246
• PubChem CID: 53398898

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.1480513
• LogD (pH = 7.4): -0.7985215
• Log P: 1.8781576
• 摩尔折射率: 42.7646 cm^3
• 极化性: 17.397926 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C9H18ClN

详细说明

Sigma Aldrich - CBR00895

Other Notes
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