1-amino-4,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase编号: 144116
• 分子式: C7H10N2O
• 平均质量: 138.1671
• 单一同位素质量: 138.07931295
• SMILES: Cc1cc(n(c(=O)c1)N)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)N
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(2)9(8)7(10)4-5/h3-4H,8H2,1-2H3
• InChIKey: YNOHPNCZMTZNPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-amino-4,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC传统名: 1-amino-4,6-dimethylpyridin-2-one
• 别名: 1-Amino-4,6-dimethylpyridin-2(1H)-one; 1-amino-4,6-dimethylpyridin-2(1H)-one

登记号

• CAS号: 98334-40-8
• MDL号: MFCD02105457
• PubChem SID: 162238333
• PubChem CID: 703657

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.16277023
• LogD (pH = 7.4): 0.16578166
• Log P: 0.1658202
• 摩尔折射率: 42.6305 cm^3
• 极化性: 15.046263 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H10N2O

详细说明

Sigma Aldrich - CBR00430

Other Notes
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