177260-59-2 ((Fingorod Impurity 14 (hydrochloride))

CAS号:
177260-59-2
英文名称:
Fingorod Impurity 14 (hydrochloride)
分子式:
C18H32ClNO
分子量:
313.905784606934

Fingorod Impurity 14 (hydrochloride)(177260-59-2)名称与标识符

名称

中文别名:
芬戈莫德杂质25;
英文别名:
2-amino-4-(4-octylphenyl)butanol;2-Amino-4-(4-octylphenyl)butan-1-ol HCl;Fingolimod Monohydroxymethyl Impurity;Benzenebutanol, β-amino-4-octyl-;Fingorod Impurity 14 (hydrochloride);

标识符

InChIKey:
HGZRXPTWWBQXPA-UHFFFAOYSA-N
Inchi:
1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-20;/h9-12,18,20H,2-8,13-15,19H2,1H3;1H
SMILES:
C(O)C(N)CCC1=CC=C(CCCCCCCC)C=C1.[H]Cl

Fingorod Impurity 14 (hydrochloride)(177260-59-2)物化性质

实验特性

  • 沸点 : 427.2±40.0 °C(Predicted)
  • 酸度系数(pKa) : 12.82±0.10(Predicted)
  • 密度 : 0.961±0.06 g/cm3(Predicted)