1-cyclopentylcyclopropan-1-amine hydrochloride

• ChemBase编号: 144030
• 分子式: C8H16ClN
• 平均质量: 161.67234
• 单一同位素质量: 161.0971272
• SMILES: C1CCC(C1)C1(CC1)N.Cl
• Canonical SMILES: NC1(CC1)C1CCCC1.Cl
• InChI: InChI=1S/C8H15N.ClH/c9-8(5-6-8)7-3-1-2-4-7;/h7H,1-6,9H2;1H
• InChIKey: SHBAMDDXOHPKQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentylcyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-cyclopentylcyclopropan-1-amine hydrochloride
• 别名: (1-Cyclopentylcyclopropyl)amine hydrochloride

登记号

• MDL号: MFCD18071228
• PubChem SID: 162238247
• PubChem CID: 53398896

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.5926199
• LogD (pH = 7.4): -1.2430902
• Log P: 1.433589
• 摩尔折射率: 38.1636 cm^3
• 极化性: 15.551486 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): C8H16ClN

详细说明

Sigma Aldrich - CBR00892

Other Notes
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