1-cyclopropanecarbonylpiperidin-4-amine hydrochloride

• ChemBase编号: 124351
• 分子式: C9H17ClN2O
• 平均质量: 204.69708
• 单一同位素质量: 204.10294085
• SMILES: C(=O)(N1CCC(CC1)N)C1CC1.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)C1CC1.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c10-8-3-5-11(6-4-8)9(12)7-1-2-7;/h7-8H,1-6,10H2;1H
• InChIKey: FYCFAYLOCFYRKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopropanecarbonylpiperidin-4-amine hydrochloride
• IUPAC传统名: 1-cyclopropanecarbonylpiperidin-4-amine hydrochloride
• 别名: 1-(Cyclopropylcarbonyl)-4-piperidinamine hydrochloride; (4-aminopiperidin-1-yl)(cyclopropyl)methanone hydrochloride

登记号

• MDL号: MFCD08690150
• PubChem SID: 162218704
• PubChem CID: 50944219

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.6097898
• LogD (pH = 7.4): -3.0408552
• Log P: -0.59196216
• 摩尔折射率: 47.0403 cm^3
• 极化性: 18.585028 Å^3
• 极化表面积: 46.33 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

• 成盐信息: HCl
• Empirical Formula (Hill Notation): C9H17ClN2O

详细说明

Sigma Aldrich - CBR00908

Other Notes
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