CAS No.108321-84-2,H-PHE-AMC TFA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108321-84-2
Name:	H-PHE-AMC TFA

Formula:	C₂₁H₁₉F₃N₂O₅
Molecular Weight:	436.38
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.
Melting Point:	~200 °C
Boiling Point:	649.8 °C at 760 mmHg
Flash Point:	346.8 °C
Appearance:	white powder
Safety:	22-24/25
PSA:	122.63000
LogP:	4.01650

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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