2-amino-2-methylpropanamide hydrochloride

• ChemBase编号: 49263
• 分子式: C4H11ClN2O
• 平均质量: 138.59594
• 单一同位素质量: 138.05599066
• SMILES: C(=O)(C(N)(C)C)N.Cl
• Canonical SMILES: NC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-4(2,6)3(5)7;/h6H2,1-2H3,(H2,5,7);1H
• InChIKey: YHYXYSHMKVFQIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-2-methylpropanamide hydrochloride
• IUPAC传统名: 2-amino-2-methylpropanamide hydrochloride
• 别名: 2-Methylalaninamide hydrochloride; 2-Amino-2-methylpropanamide hydrochloride

登记号

• MDL号: MFCD12913069
• PubChem SID: 162054026
• PubChem CID: 14569009

理论计算性质

• Acid pKa: 16.517313
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.739702
• LogD (pH = 7.4): -2.2193317
• Log P: -0.9528881
• 摩尔折射率: 27.0328 cm^3
• 极化性: 10.84336 Å^3
• 极化表面积: 69.11 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: 263 - 265°C
• 疏水性(logP): -1.253

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C4H11ClN2O

详细说明

Sigma Aldrich - CBR00900

Other Notes
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Legal Information
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