N,N-dimethyl-1-phosphonomethanamine oxide

• ChemBase编号: 184428
• 分子式: C3H10NO4P
• 平均质量: 155.089561
• 单一同位素质量: 155.03474444
• SMILES: P(=O)(C[N+]([O-])(C)C)(O)O
• Canonical SMILES: OP(=O)(C[N+](C)(C)[O-])O
• InChI: InChI=1S/C3H10NO4P/c1-4(2,5)3-9(6,7)8/h3H2,1-2H3,(H2,6,7,8)
• InChIKey: KVIRBRMUPUQCCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-1-phosphonomethanamine oxide
• IUPAC传统名: N,N-dimethyl-1-phosphonomethanamine oxide

登记号

• PubChem SID: 164240338
• PubChem CID: 1779239

理论计算性质

• Acid pKa: 1.4773369
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.7900295
• LogD (pH = 7.4): -3.8960922
• Log P: -1.6449518
• 摩尔折射率: 32.6097 cm^3
• 极化性: 12.416103 Å^3
• 极化表面积: 84.41 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

• 分类: Derivatives & analogs of Natural Compounds