1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride

• ChemBase编号: 101822
• 分子式: C15H16ClF3N2
• 平均质量: 316.7491496
• 单一同位素质量: 316.09541086
• SMILES: C(c1ccc(cc1)CNNCc1ccccc1)(F)(F)F.Cl
• Canonical SMILES: FC(c1ccc(cc1)CNNCc1ccccc1)(F)F.Cl
• InChI: InChI=1S/C15H15F3N2.ClH/c16-15(17,18)14-8-6-13(7-9-14)11-20-19-10-12-4-2-1-3-5-12;/h1-9,19-20H,10-11H2;1H
• InChIKey: BGVJJQAGJDWTPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride
• IUPAC传统名: 1-benzyl-2-{[4-(trifluoromethyl)phenyl]methyl}hydrazine hydrochloride
• 别名: 1-benzyl-2-[4-(trifluoromethyl)benzyl]hydrazine hydrochloride

登记号

• PubChem SID: 162105639
• PubChem CID: 71300132

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.3600647
• LogD (pH = 7.4): 3.732759
• Log P: 3.7403564
• 摩尔折射率: 94.4221 cm^3
• 极化性: 27.399452 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 90%