1-(2-methylpropyl)cyclopropan-1-amine hydrochloride

• ChemBase编号: 144060
• 分子式: C7H16ClN
• 平均质量: 149.66164
• 单一同位素质量: 149.0971272
• SMILES: CC(C)CC1(CC1)N.Cl
• Canonical SMILES: CC(CC1(N)CC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)5-7(8)3-4-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: WBKPDQBTABGVRD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-methylpropyl)cyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-(2-methylpropyl)cyclopropan-1-amine hydrochloride
• 别名: (1-Isobutylcyclopropyl)amine hydrochloride

登记号

• MDL号: MFCD13186239
• PubChem SID: 162238277
• PubChem CID: 53398886

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.650791
• LogD (pH = 7.4): -1.2802614
• Log P: 1.3747925
• 摩尔折射率: 35.4418 cm^3
• 极化性: 14.445701 Å^3
• 极化表面积: 26.02 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): C7H16ClN

详细说明

Sigma Aldrich - CBR00866

Other Notes
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