L-Alanine 7-amido-4-methylcoumarin trifluoroacetate salt supplier

Name
H-ALA-AMC TFA
EINECS
CAS No. 96594-10-4
Density
Solubility ethanol: 50 mg/mL, clear, colorless
Melting Point 200-206 °C
Formula C₁₅H₁₅F₃N₂O₅
Boiling Point 490.1 °C at 760 mmHg
Molecular Weight 360.28
Flash Point 250.2 °C
Transport Information
Appearance odorless white Powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-L-Ala-AMC*TFA;[(1S)-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]ethyl]azanium;
PSA 122.63000
LogP 2.79370

L-Alanine 7-amido-4-methylcoumarin trifluoroacetate salt Specification

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

Product Name

H-ALA-AMC TFA

L-Alanine 7-amido-4-methylcoumarin trifluoroacetate salt Specification

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