Acetyl-L-alanine 7-amido-4-methylcoumarin

Base Information

• Chemical Name: Acetyl-L-alanine 7-amido-4-methylcoumarin
• CAS No.: 355137-87-0
• Molecular Formula: C15H16 N2 O4
• Molecular Weight: 288.3
• DSSTox Substance ID: DTXSID90426694
• Wikidata: Q82239521
• Mol file: 355137-87-0.mol

Synonyms:355137-87-0;Acetyl-L-alanine 7-amido-4-methylcoumarin;Ac-Ala-MCA;AC-ALA-AMC;(S)-2-acetamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide;(2S)-2-acetamido-N-(4-methyl-2-oxochromen-7-yl)propanamide;DTXSID90426694;MFCD02259621;AKOS025295216;FD21072;CS-0451606;W-204221;Propanamide,2-(acetylamino)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(2S)-

Chemical Property of Acetyl-L-alanine 7-amido-4-methylcoumarin

Chemical Property:

• PSA: 88.41000
• LogP: 2.02840
• Storage Temp.: -15°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 288.11100700
• Heavy Atom Count: 21
• Complexity: 486

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-2-Acetamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)propanamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(C)NC(=O)C
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](C)NC(=O)C