3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride

• ChemBase编号: 101824
• 分子式: C7H13Cl2N3
• 平均质量: 210.10422
• 单一同位素质量: 209.04865279
• SMILES: n1cc(CNNC)ccc1.Cl.Cl
• Canonical SMILES: CNNCc1cccnc1.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-8-10-6-7-3-2-4-9-5-7;;/h2-5,8,10H,6H2,1H3;2*1H
• InChIKey: ZQNITGOHWKOCEC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• IUPAC传统名: 3-[(2-methylhydrazin-1-yl)methyl]pyridine dihydrochloride
• 别名: 1-methyl-2-(pyrid-3-ylmethyl)hydrazine dihydrochloride

登记号

• PubChem SID: 162105351
• PubChem CID: 71300117

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.36559805
• LogD (pH = 7.4): -0.08470465
• Log P: -0.07963752
• 摩尔折射率: 61.6789 cm^3
• 极化性: 15.966363 Å^3
• 极化表面积: 36.95 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true