(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-amine hydrochloride

• ChemBase编号: 99429
• 分子式: C10H10ClF6N
• 平均质量: 293.6365192
• 单一同位素质量: 293.04059633
• SMILES: FC(c1cc(cc(c1)[C@@H](C)N)C(F)(F)F)(F)F.Cl
• Canonical SMILES: C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N.Cl
• InChI: InChI=1S/C10H9F6N.ClH/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16;/h2-5H,17H2,1H3;1H/t5-;/m1./s1
• InChIKey: DWSPCWWXKNPRFN-NUBCRITNSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-amine hydrochloride
• IUPAC传统名: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine hydrochloride
• 别名: (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanamine hydrochloride; (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine hydrochloride; (R)-1-(3,5-bis(trifluoromethyl)phenyl)ethanamine hydrochloride

登记号

• CAS号: 216002-20-9; 127733-47-5
• PubChem SID: 162085697
• PubChem CID: 45933766

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.28297505
• LogD (pH = 7.4): 1.2188541
• Log P: 3.2712862
• 摩尔折射率: 50.8976 cm^3
• 极化性: 18.147049 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant

产品相关信息

• 纯度: 97%