1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase编号: 90667
• 分子式: C9H11Cl2N
• 平均质量: 204.09634
• 单一同位素质量: 203.02685472
• SMILES: Clc1cccc(c1)C1(CC1)N.Cl
• Canonical SMILES: Clc1cccc(c1)C1(N)CC1.Cl
• InChI: InChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
• InChIKey: AWQJBHOHCVILOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-(3-chlorophenyl)cyclopropan-1-amine hydrochloride
• 别名: 1-(1-Aminocycloprop-1-yl)-3-chlorobenzene hydrochloride; 1-(3-Chlorophenyl)cyclopropan-1-amine hydrochloride; 1-Amino-1-(3-chlorophenyl)cyclopropane hydrochloride; 1-(3-Chlorophenyl)cyclopropanamine hydrochloride

登记号

• MDL号: MFCD09028130
• PubChem SID: 162104787
• PubChem CID: 50944239

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.89369345
• LogD (pH = 7.4): 0.05971811
• Log P: 2.0923922
• 摩尔折射率: 46.437 cm^3
• 极化性: 18.506401 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

理化性质

• 熔点: 199 - 201°C
• 疏水性(logP): 2.151

安全信息

• 保存注意事项: Harmful

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C9H11Cl2N

详细说明

Sigma Aldrich - CBR00915

Other Notes
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