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| Name |
L-Phenylalanine 4-methyl-7-coumarinylamide trifluoroacetate salt |
EINECS | N/A |
| CAS No. | 108321-84-2 | Density | N/A |
| PSA | 122.63000 | LogP | 4.01650 |
| Solubility | N/A | Melting Point |
~200 °C |
| Formula | C21H19F3N2O5 | Boiling Point | 649.8 °C at 760 mmHg |
| Molecular Weight | 436.38 | Flash Point | 346.8 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
PHENYLALANINE-AMC TFA;H-PHE-AMC TFA;L-PHENYLALANINE 4-METHYL-7-COUMARINYLAMIDE TRIFLUOROACETATE;L-PHENYLALANINE 4-METHYLUMBELLIFERYLAMIDE TRIFLUOROACETATE;L-PHENYLALANINE 7-AMIDO-4-METHYLCOUMARIN TRIFLUOROACETATE;L-PHENYLALANINE 7-AMIDO-4-METHYLCOUMARIN, TRIFLUOROACETATE SALT;L-PHENYLALANINE-AMC TFA;L-phenylalanine 4-methyl-7-coumarinyl-amide trifluoroac. |
L-Phenylalanine 4-methyl-7-coumarinylamide trifluoroacetate salt Specification
The L-Phenylalanine 4-methyl-7-coumarinylamide trifluoroacetate salt is an organic compound with the formula C21H19F3N2O5. The systematic name of this chemical is N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-phenylalaninamide trifluoroacetate. With the CAS registry number 108321-84-2, it is also named as L-Phenylalanine 7-amido-4-methylcoumarin trifluoroacetate salt. It is white powder which is stable under normal temperature and pressure. When using it, people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of L-Phenylalanine 4-methyl-7-coumarinylamide trifluoroacetate salt can be summarized as: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 76.15 Å2; (7)Flash Point: 346.8 °C; (8)Enthalpy of Vaporization: 100.65 kJ/mol; (9)Boiling Point: 649.8 °C at 760 mmHg; (10)Vapour Pressure: 9E-18 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)C(=O)O.O=C(Nc2ccc\1c(OC(=O)/C=C/1C)c2)[C@@H](N)Cc3ccccc3
2. InChI:InChI=1/C19H18N2O3.C2HF3O2/c1-12-9-18(22)24-17-11-14(7-8-15(12)17)21-19(23)16(20)10-13-5-3-2-4-6-13;3-2(4,5)1(6)7/h2-9,11,16H,10,20H2,1H3,(H,21,23);(H,6,7)/t16-;/m0./s1
3. InChIKey:TWTCFDQXNADDLQ-NTISSMGPBE
4. Std. InChI:InChI=1S/C19H18N2O3.C2HF3O2/c1-12-9-18(22)24-17-11-14(7-8-15(12)17)21-19(23)16(20)10-13-5-3-2-4-6-13;3-2(4,5)1(6)7/h2-9,11,16H,10,20H2,1H3,(H,21,23);(H,6,7)/t16-;/m0./s1
5. Std. InChIKey:TWTCFDQXNADDLQ-NTISSMGPSA-N
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