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| CAS No.: | 103300-89-6 |
|---|---|
| Name: | N6-Trifluoroacetyl-L-lysyl-L-proline |
| Molecular Structure: | |
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| Formula: | C13H20F3N3O4 |
| Molecular Weight: | 339.315 |
| Synonyms: | L-Proline,1-[N6-(trifluoroacetyl)-L-lysyl]-;L-Proline, N6-(trifluoroacetyl)-L-lysyl-(9CI);N-(N6-Trifluoroacetyl-L-lysyl)-L-proline; |
| Density: | 1.364 g/cm3 |
| Boiling Point: | 550.929 °C at 760 mmHg |
| Flash Point: | 286.992 °C |
| PSA: | 112.73000 |
| LogP: | 1.26720 |
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Chemistry
Molecular Structure of L-Proline,N6-(2,2,2-trifluoroacetyl)-L-lysyl- (CAS No. 103300-89-6):
Systematic Name: N~6~-(trifluoroacetyl)-L-lysyl-L-proline
Molecular Formula: C13H20F3N3O4
Molecular Weight: 339.31
CAS Registry Number: 103300-89-6
Index of Refraction: 1.496
Molar Refractivity: 72.69 cm3
Molar Volume: 248.6 cm3
Surface Tension: 48.9 dyne/cm
Density: 1.364 g/cm3
Flash Point: 287 °C
Enthalpy of Vaporization: 90.88 kJ/mol
Boiling Point: 550.9 °C at 760 mmHg
Vapour Pressure: 1.37E-13 mmHg at 25°C
Storage Temp.: −20°C
Product Categories: Intermediates of Sertraline
Structure Descriptors of L-Proline,N6-(2,2,2-trifluoroacetyl)-L-lysyl- (CAS No. 103300-89-6):
SMILES: O=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C(F)(F)F
InChI: InChI=1/C13H20F3N3O4/c14-13(15,16)12(23)18-6-2-1-4-8(17)10(20)19-7-3-5-9(19)11(21)22/h8-9H,1-7,17H2,(H,18,23)(H,21,22)/t8-,9-/m0/s1
InChIKey: MUYCUFZXUZRHSL-IUCAKERBBP
Std. InChI: InChI=1S/C13H20F3N3O4/c14-13(15,16)12(23)18-6-2-1-4-8(17)10(20)19-7-3-5-9(19)11(21)22/h8-9H,1-7,17H2,(H,18,23)(H,21,22)/t8-,9-/m0/s1
Std. InChIKey: MUYCUFZXUZRHSL-IUCAKERBSA-N
Safety Profile
WGK Germany: 1