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CAS No.: | 96594-10-4 |
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Name: | H-ALA-AMC TFA |
Molecular Structure: | |
Formula: | C15H15F3N2O5 |
Molecular Weight: | 360.28 |
Synonyms: | H-L-Ala-AMC*TFA;[(1S)-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]ethyl]azanium; |
Melting Point: | 200-206 °C |
Boiling Point: | 490.1 °C at 760 mmHg |
Flash Point: | 250.2 °C |
Solubility: | ethanol: 50 mg/mL, clear, colorless |
Appearance: | odorless white Powder |
Safety: | 22-24/25 |
PSA: | 122.63000 |
LogP: | 2.79370 |
The N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-alaninamide trifluoroacetate is an organic compound with the formula C15H15F3N2O5. The systematic name of this chemical is N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-alaninamide trifluoroacetate. With the CAS registry number 96594-10-4, it is also named as L-Alanine 4-methyl-7-coumarinylamide trifluoroacetate salt. Besides, it should be stored in a closed cool and dry place at temperature of -20 °C.
Physical properties about N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-alaninamide trifluoroacetate are: (1)ACD/LogP: 0.39; (2)ACD/LogD (pH 5.5): -1.6; (3)ACD/LogD (pH 7.4): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.84; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.85 Å2; (12)Flash Point: 250.2 °C; (13)Enthalpy of Vaporization: 75.66 kJ/mol; (14)Boiling Point: 490.1 °C at 760 mmHg; (15)Vapour Pressure: 9.41E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)O.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)C
(2)InChI: InChI=1/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m0./s1
(3)InChIKey: YYGKKBUKGNFDJW-QRPNPIFTBF
(4)Std. InChI: InChI=1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m0./s1
(5)Std. InChIKey: YYGKKBUKGNFDJW-QRPNPIFTSA-N