1-methyl-1-(pyridin-2-ylmethyl)guanidine

• ChemBase编号: 307461
• 分子式: C8H12N4
• 平均质量: 164.20768
• 单一同位素质量: 164.1061964
• SMILES: C(=N)(N(Cc1ncccc1)C)N
• Canonical SMILES: NC(=N)N(Cc1ccccn1)C
• InChI: InChI=1S/C8H12N4/c1-12(8(9)10)6-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H3,9,10)
• InChIKey: GMTGRMHHCQZHEL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-1-(pyridin-2-ylmethyl)guanidine
• IUPAC传统名: 1-methyl-1-(pyridin-2-ylmethyl)guanidine
• 别名: N-methyl-N-(pyridin-2-ylmethyl)guanidine

登记号

• MDL号: MFCD09055338

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.524435
• LogD (pH = 7.4): -2.5224445
• Log P: -0.10898097
• 摩尔折射率: 57.8616 cm^3
• 极化性: 17.948168 Å^3
• 极化表面积: 66.0 Å^2