1-(diphenylphosphoroso)-1-methylhydrazine

• ChemBase编号: 80129
• 分子式: C13H15N2OP
• 平均质量: 246.244761
• 单一同位素质量: 246.09219974
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)N(N)C
• Canonical SMILES: CN(P(=O)(c1ccccc1)c1ccccc1)N
• InChI: InChI=1S/C13H15N2OP/c1-15(14)17(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,14H2,1H3
• InChIKey: MBYKDUGAFCUNQK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(diphenylphosphoroso)-1-methylhydrazine
• IUPAC传统名: 1-(diphenylphosphoroso)-1-methylhydrazine
• 别名: N-methyl(diphenyl)phosphinic hydrazide

登记号

• MDL号: MFCD00196017
• PubChem SID: 162067249
• PubChem CID: 608666

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.6714654
• LogD (pH = 7.4): 2.6817658
• Log P: 2.6819
• 摩尔折射率: 71.0723 cm^3
• 极化性: 27.557648 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true