1-(propan-2-yl)cyclopropan-1-amine hydrochloride

• ChemBase编号: 144061
• 分子式: C6H14ClN
• 平均质量: 135.63506
• 单一同位素质量: 135.08147713
• SMILES: CC(C)C1(CC1)N.Cl
• Canonical SMILES: CC(C1(N)CC1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(2)6(7)3-4-6;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: FRYRHRZAXFICJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(propan-2-yl)cyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-isopropylcyclopropan-1-amine hydrochloride
• 别名: (1-Isopropylcyclopropyl)amine hydrochloride

登记号

• MDL号: MFCD18071227
• PubChem SID: 162238278
• PubChem CID: 53398895

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.0182838
• LogD (pH = 7.4): -1.6775408
• Log P: 1.0081775
• 摩尔折射率: 30.7638 cm^3
• 极化性: 12.598926 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): C6H14ClN

详细说明

Sigma Aldrich - CBR00890

Other Notes
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