{[4-(trifluoromethyl)phenyl]methyl}hydrazine

• ChemBase编号: 117849
• 分子式: C8H9F3N2
• 平均质量: 190.1656696
• 单一同位素质量: 190.07178296
• SMILES: C(c1ccc(cc1)CNN)(F)(F)F
• Canonical SMILES: NNCc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4,13H,5,12H2
• InChIKey: JYHYIFWDMFXPFG-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 2924-77-8
• MDL号: MFCD07786412; MFCD01722304
• PubChem SID: 162090837
• PubChem CID: 52973

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.5951985
• LogD (pH = 7.4): 1.789079
• 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

• 分配系数: 1.74176
• 疏水性(logP): 1.587

产品相关信息

• 纯度: 95%; 95+%
• 成盐信息: HCl