4-[(dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole

• ChemBase编号: 274170
• 分子式: C7H12N4
• 平均质量: 152.19698
• 单一同位素质量: 152.1061964
• SMILES: n1n(cc(c1)/C=N/N(C)C)C
• Canonical SMILES: CN(/N=C/c1cnn(c1)C)C
• InChI: InChI=1S/C7H12N4/c1-10(2)8-4-7-5-9-11(3)6-7/h4-6H,1-3H3
• InChIKey: ZFFBXHNLRPNABA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole
• IUPAC传统名: 4-[(dimethylhydrazin-1-ylidene)methyl]-1-methylpyrazole
• 别名: 4-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1-methyl-1H-pyrazole

登记号

• MDL号: MFCD18838741
• PubChem SID: 164330080
• PubChem CID: 54593053

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.014203437
• LogD (pH = 7.4): -0.004560155
• Log P: -0.004435811
• 摩尔折射率: 56.6959 cm^3
• 极化性: 16.566795 Å^3
• 极化表面积: 33.42 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: 70 - 72°C
• 疏水性(logP): -0.168

产品相关信息

• 纯度: 95%