N-methyl-2-(methylamino)acetamide

• ChemBase编号: 120123
• 分子式: C4H10N2O
• 平均质量: 102.135
• 单一同位素质量: 102.07931295
• SMILES: C(=O)(NC)CNC
• Canonical SMILES: CNCC(=O)NC
• InChI: InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)
• InChIKey: NODGJSNKUCVLNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(methylamino)acetamide
• IUPAC传统名: N-methyl-2-(methylamino)acetamide
• 别名: N-methyl-2-(methylamino)acetamide; N1,N2-Dimethylglycinamide; N~1~,N~2~-dimethylglycinamide

登记号

• CAS号: 44565-47-1
• MDL号: MFCD06375938
• PubChem SID: 162214476
• PubChem CID: 2463138

理论计算性质

• Acid pKa: 16.172451
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.269551
• LogD (pH = 7.4): -2.713311
• Log P: -1.2981617
• 摩尔折射率: 27.4969 cm^3
• 极化性: 10.84336 Å^3
• 极化表面积: 41.13 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): C4H10N2O

详细说明

Sigma Aldrich - CBR00235

Other Notes
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