{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride

• ChemBase编号: 94049
• 分子式: C11H17Cl2F3N2
• 平均质量: 305.1672896
• 单一同位素质量: 304.07208857
• SMILES: NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
• Canonical SMILES: NCC(c1ccc(cc1)C(F)(F)F)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H15F3N2.2ClH/c1-16(2)10(7-15)8-3-5-9(6-4-8)11(12,13)14;;/h3-6,10H,7,15H2,1-2H3;2*1H
• InChIKey: AZJWIJQUEOEKCG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride
• IUPAC传统名: {2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride
• 别名: {2-Amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine dihydrochloride; 2-(Dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethylamine dihydrochloride

登记号

• MDL号: MFCD03840183
• PubChem SID: 162080704
• PubChem CID: 17998873

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.893586
• LogD (pH = 7.4): 0.30250716
• Log P: 2.0552742
• 摩尔折射率: 58.1944 cm^3
• 极化性: 21.750853 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant