L-Threonine 7-amido-4-methylcoumarin

Base Information

• Chemical Name: L-Threonine 7-amido-4-methylcoumarin
• CAS No.: 191723-66-7
• Molecular Formula: C14H16 N2 O4
• Molecular Weight: 276.29
• DSSTox Substance ID: DTXSID80426784
• Wikidata: Q82239595
• Mol file: 191723-66-7.mol

Synonyms:191723-66-7;L-Threonine 7-amido-4-methylcoumarin;H-Thr-AMC;L-Threonine 7-amido-4-methyl coumarin;(2S,3R)-2-amino-3-hydroxy-N-(4-methyl-2-oxo-2H-chromen-7-yl)butanamide;(2S,3R)-2-AMINO-3-HYDROXY-N-(4-METHYL-2-OXOCHROMEN-7-YL)BUTANAMIDE;Butanamide, 2-amino-3-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, (2S,3R)-;DTXSID80426784;MFCD00152180;AKOS025294808;Butanamide,2-amino-3-hydroxy-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,(2S,3R)-

Chemical Property of L-Threonine 7-amido-4-methylcoumarin

Chemical Property:

• Boiling Point: 583.2±50.0 °C(Predicted)
• PKA: 12.06±0.45(Predicted)
• PSA: 105.56000
• Density: 1.360±0.06 g/cm3(Predicted)
• LogP: 1.52130
• Storage Temp.: −20°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 276.11100700
• Heavy Atom Count: 20
• Complexity: 435

Purity/Quality:

98%min ^*data from raw suppliers

H-L-Thr-AMC ^*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(C)O)N
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H]([C@@H](C)O)N