N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide

• ChemBase编号: 79068
• 分子式: C9H13ClN4
• 平均质量: 212.67932
• 单一同位素质量: 212.08287412
• SMILES: N(=C\N(C)C)/c1c(c(c(nn1)Cl)C)C
• Canonical SMILES: CN(/C=N/c1nnc(c(c1C)C)Cl)C
• InChI: InChI=1S/C9H13ClN4/c1-6-7(2)9(11-5-14(3)4)13-12-8(6)10/h5H,1-4H3
• InChIKey: WKUYOZUIYBNZED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide
• IUPAC传统名: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethylmethanimidamide
• 别名: N'-(6-chloro-4,5-dimethylpyridazin-3-yl)-N,N-dimethyliminoformamide

登记号

• MDL号: MFCD00103736
• PubChem SID: 162043831
• PubChem CID: 6823747

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3193452
• LogD (pH = 7.4): 1.5690271
• Log P: 1.8276035
• 摩尔折射率: 62.8808 cm^3
• 极化性: 21.421068 Å^3
• 极化表面积: 41.38 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true