4-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride

• ChemBase编号: 101817
• 分子式: C10H19Cl2N3
• 平均质量: 252.18396
• 单一同位素质量: 251.09560298
• SMILES: n1ccc(CNNCC(C)C)cc1.Cl.Cl
• Canonical SMILES: CC(CNNCc1ccncc1)C.Cl.Cl
• InChI: InChI=1S/C10H17N3.2ClH/c1-9(2)7-12-13-8-10-3-5-11-6-4-10;;/h3-6,9,12-13H,7-8H2,1-2H3;2*1H
• InChIKey: VSYBGQWSDMQDBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride
• IUPAC传统名: 4-{[2-(2-methylpropyl)hydrazin-1-yl]methyl}pyridine dihydrochloride
• 别名: 1-isobutyl-2-(pyrid-4-ylmethyl)hydrazine dihydrochloride

登记号

• PubChem SID: 162105347
• PubChem CID: 71300109

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.60368115
• LogD (pH = 7.4): 1.1505077
• Log P: 1.1646657
• 摩尔折射率: 75.4231 cm^3
• 极化性: 21.50258 Å^3
• 极化表面积: 36.95 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true