1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride

• ChemBase编号: 101829
• 分子式: C16H22Cl2N2
• 平均质量: 313.26528
• 单一同位素质量: 312.11600407
• SMILES: c1(c(ccc(c1)C)CNNCc1ccccc1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(c(c1)C)CNNCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C16H20N2.2ClH/c1-13-8-9-16(14(2)10-13)12-18-17-11-15-6-4-3-5-7-15;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
• InChIKey: ROHWYTSOBCMELQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride
• IUPAC传统名: 1-benzyl-2-[(2,4-dimethylphenyl)methyl]hydrazine dihydrochloride
• 别名: 1-benzyl-2-(2,4-dimethylbenzyl)hydrazine dihydrochloride

登记号

• PubChem SID: 162105641
• PubChem CID: 71300135

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.4177628
• LogD (pH = 7.4): 3.8787394
• Log P: 3.889351
• 摩尔折射率: 98.5308 cm^3
• 极化性: 30.06997 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true