(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide 2,2,2-trifluoroacetate

Base Information

• Chemical Name: (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide 2,2,2-trifluoroacetate
• CAS No.: 108321-84-2
• Molecular Formula: C21H19F3N2O5
• Molecular Weight: 436.38
• Hs Code.: 29322090
• DSSTox Substance ID: DTXSID90584965
• Mol file: 108321-84-2.mol

Synonyms:108321-84-2;L-Phenylalanine 7-amido-4-methylcoumarin trifluoroacetate salt;(S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide 2,2,2-trifluoroacetate;L-Phenylalanine 7-amido-4-methylcoumarin, trifluoroacetate salt;(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid;TWTCFDQXNADDLQ-NTISSMGPSA-N;H-Phe-AMC ⋅SCHEMBL380768;DTXSID90584965;(2S)-2-amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide;trifluoroacetic acid;AMY41728;L-Phenylalanine 4-methyl-7-coumarinylamide trifluoroacetate salt;MFCD00167024;AKOS015910343;CS-0440656;P-3500;Trifluoroacetic acid--N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-phenylalaninamide (1/1)

Chemical Property of (S)-2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide 2,2,2-trifluoroacetate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 9E-18mmHg at 25°C
• Melting Point: ~200 °C
• Boiling Point: 649.8 °C at 760 mmHg
• Flash Point: 346.8 °C
• PSA: 122.63000
• LogP: 4.01650
• Storage Temp.: -15°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 436.12460620
• Heavy Atom Count: 31
• Complexity: 594

Purity/Quality:

99% ^*data from raw suppliers

L-Phenylalanine 7-amido-4-methylcoumarin trifluoroacetate salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)N.C(=O)(C(F)(F)F)O
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)N.C(=O)(C(F)(F)F)O
• Uses: L-Phenylalanine 7-Amido-4-methylcoumarin, Trifluoroacetate Salt is a fluorogenic substrate for phenylalanine peptidase yielding a blue fluorescent solution from cleavage. L-Phenylalanine 7-Amido-4-methylcoumarin, Trifluoroacetate Salt can be used as reactant/reagent for activation of lymphocyte progranzyme by dipeptidyl peptidase I.