{[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride

• ChemBase编号: 242712
• 分子式: C8H11Cl2F3N2
• 平均质量: 263.0875496
• 单一同位素质量: 262.02513838
• SMILES: C(c1cc(CNN)ccc1)(F)(F)F.Cl.Cl
• Canonical SMILES: NNCc1cccc(c1)C(F)(F)F.Cl.Cl
• InChI: InChI=1S/C8H9F3N2.2ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H
• InChIKey: NUKYOOXHNAWDOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride
• IUPAC传统名: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride
• 别名: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride

登记号

• MDL号: MFCD16990612
• PubChem SID: 164298622
• PubChem CID: 50998244

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.6032853
• LogD (pH = 7.4): 1.7892367
• Log P: 1.7922074
• 摩尔折射率: 55.482 cm^3
• 极化性: 16.132568 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.587

产品相关信息

• 纯度: 95%