2-amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide; 2,2,2-trifluoroacetic acid

Base Information

• Chemical Name: 2-amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide; 2,2,2-trifluoroacetic acid
• CAS No.: 96594-10-4
• Molecular Formula: C15H15F3N2O5
• Molecular Weight: 360.28
• Hs Code.: 29322090
• DSSTox Substance ID: DTXSID40914435
• Wikidata: Q72436914
• Mol file: 96594-10-4.mol

Synonyms:DTXSID40914435;1-Hydroxy-1-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)imino]propan-2-aminium;2-amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide;2,2,2-trifluoroacetic acid

Chemical Property of 2-amino-N-(4-methyl-2-oxo-chromen-7-yl)propanamide; 2,2,2-trifluoroacetic acid

Chemical Property:

• Appearance/Colour: odorless white Powder
• Vapor Pressure: 9.41E-10mmHg at 25°C
• Melting Point: 200-206 °C
• Boiling Point: 490.1 °C at 760 mmHg
• Flash Point: 250.2 °C
• PSA: 122.63000
• LogP: 2.79370
• Storage Temp.: −20°C
• Solubility.: ethanol: 50 mg/mL, clear, colorless
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.10826734
• Heavy Atom Count: 18
• Complexity: 392

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Alanine-7-amido-4-methylcoumarin trifluoroacetic acid salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)[NH3+]
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)[NH3+]
• Uses: Fluorogenic peptidase substrate, hydrolysis results in longer wavelength excitation and emission spectrum (?ex 380nm, ?em 440nm).