1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride

• ChemBase编号: 143915
• 分子式: C10H13Cl2N
• 平均质量: 218.12292
• 单一同位素质量: 217.04250478
• SMILES: c1cc(ccc1CC1(CC1)N)Cl.Cl
• Canonical SMILES: NC1(CC1)Cc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C10H12ClN.ClH/c11-9-3-1-8(2-4-9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H
• InChIKey: WIGGMLJLERJMTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-[(4-chlorophenyl)methyl]cyclopropan-1-amine hydrochloride
• 别名: 1-(4-Chlorobenzyl)cyclopropanamine hydrochloride

登记号

• MDL号: MFCD07995731
• PubChem SID: 162238132
• PubChem CID: 24206589

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.63243735
• LogD (pH = 7.4): 0.016297204
• Log P: 2.3810534
• 摩尔折射率: 51.192 cm^3
• 极化性: 20.272228 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): C10H13Cl2N

详细说明

Sigma Aldrich - CBR00921

Other Notes
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