2-amino-N-cyclopropylacetamide hydrochloride

• ChemBase编号: 143799
• 分子式: C5H11ClN2O
• 平均质量: 150.60664
• 单一同位素质量: 150.05599066
• SMILES: C1CC1NC(=O)CN.Cl
• Canonical SMILES: NCC(=O)NC1CC1.Cl
• InChI: InChI=1S/C5H10N2O.ClH/c6-3-5(8)7-4-1-2-4;/h4H,1-3,6H2,(H,7,8);1H
• InChIKey: DYXKHNOFSUODKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-cyclopropylacetamide hydrochloride
• IUPAC传统名: 2-amino-N-cyclopropylacetamide hydrochloride
• 别名: N1-Cyclopropylglycinamide hydrochloride; 2-amino-N-cyclopropylacetamide hydrochloride

登记号

• CAS号: 120436-02-4
• MDL号: MFCD07323617
• PubChem SID: 162238016
• PubChem CID: 16249406

理论计算性质

• Acid pKa: 15.6869955
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.7579994
• LogD (pH = 7.4): -2.0747962
• Log P: -1.2651776
• 摩尔折射率: 29.9335 cm^3
• 极化性: 11.95924 Å^3
• 极化表面积: 55.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 169 - 171°C
• 疏水性(logP): -1.251

产品相关信息

• 纯度: 95%
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C5H11ClN2O

详细说明

Sigma Aldrich - CBR00910

Other Notes
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