methyl({4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}methyl)amine

• ChemBase编号: 100266
• 分子式: C14H13F3N2
• 平均质量: 266.2616296
• 单一同位素质量: 266.10308309
• SMILES: n1cc(ccc1c1ccc(cc1)CNC)C(F)(F)F
• Canonical SMILES: CNCc1ccc(cc1)c1ccc(cn1)C(F)(F)F
• InChI: InChI=1S/C14H13F3N2/c1-18-8-10-2-4-11(5-3-10)13-7-6-12(9-19-13)14(15,16)17/h2-7,9,18H,8H2,1H3
• InChIKey: LCAGYYAWWFGGQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}methyl)amine
• IUPAC传统名: methyl({4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}methyl)amine
• 别名: N-methyl-4-[5-(trifluoromethyl)pyrid-2-yl]benzylamine; N-Methyl-4-[5-(trifluoromethyl)pyridin-2-yl]benzylamine 97%

登记号

• CAS号: 884507-35-1
• MDL号: MFCD09817481
• PubChem SID: 162086367
• PubChem CID: 24229537

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.042419445
• LogD (pH = 7.4): 1.1007102
• Log P: 3.2248464
• 摩尔折射率: 67.887 cm^3
• 极化性: 26.499104 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 89-90.5°C

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 97%