| Identification | Back Directory | [Name]
diethyl 2-acetamido-2-(4-octylphenethyl)malonate | [CAS]
162358-08-9 | [Synonyms]
Fingolimod Imp.3
Fingolimod Impurity 25
Fingolimod N-Acetyl Diethyl Ester
diethyl 2-acetamido-2-(4-octylphenethyl)malote
diethyl 2-acetamido-2-(4-octylphenethyl)malonate
Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate
Propanedioic acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, diethyl ester
2-(AcetylaMino)-2-[2-(4-octylphenyl)ethyl]propanedioic Acid 1,3-Diethyl Ester
Propanedioic acid,2-(acetylamino)-2-[2-(4-octylphenyl)ethyl]-, 1,3-diethyl ester | [EINECS(EC#)]
800-060-5 | [Molecular Formula]
C25H39NO5 | [MDL Number]
MFCD09840446 | [MOL File]
162358-08-9.mol | [Molecular Weight]
433.58 |
| Chemical Properties | Back Directory | [Melting point ]
57-58°C | [Boiling point ]
570.7±50.0 °C(Predicted) | [density ]
1.043 | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), DMSO (Slightly, Heated), Ethyl Acetate (Slightly) | [form ]
Solid | [pka]
12.17±0.46(Predicted) | [color ]
White to Pale Yellow | [InChI]
InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27) | [InChIKey]
RYOKCHIAMHPMLV-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)C(NC(C)=O)(CCC1=CC=C(CCCCCCCC)C=C1)C(OCC)=O |
|
|