alpha-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)methyl-5-methyl-3-oxo-4-isoxazoline-4-propionic acid

Base Information

• Chemical Name: alpha-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)methyl-5-methyl-3-oxo-4-isoxazoline-4-propionic acid
• CAS No.: 131417-67-9
• Molecular Formula: C12H15 N3 O6
• Molecular Weight: 297.26
• DSSTox Substance ID: DTXSID40926614
• Nikkaji Number: J360.654F
• ChEMBL ID: CHEMBL1159826
• Mol file: 131417-67-9.mol

Synonyms:alpha-amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)methyl-5-methyl-3-oxo-4-isoxazoline-4-propionic acid;AMNH

Chemical Property of alpha-Amino-2-(3-hydroxy-5-methyl-4-isoxazolyl)methyl-5-methyl-3-oxo-4-isoxazoline-4-propionic acid

Chemical Property:

• Boiling Point: 552.7°Cat760mmHg
• Flash Point: 288.1°C
• PSA: 144.72000
• Density: 1.453g/cm³
• LogP: 0.45470
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 297.09608521
• Heavy Atom Count: 21
• Complexity: 580

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(O1)CC2=C(ONC2=O)C)CC(C(=O)O)N