2-Amino-3-(isoxazol-5-yl)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(isoxazol-5-yl)propanoic acid
• CAS No.: 98135-03-6
• Molecular Formula: C6H8 N2 O3
• Molecular Weight: 156.14
• DSSTox Substance ID: DTXSID70596763
• Mol file: 98135-03-6.mol

Synonyms:98135-03-6;2-amino-3-(isoxazol-5-yl)propanoic acid;SCHEMBL937060;3-(1,2-Oxazol-5-yl)alanine;DTXSID70596763;2-amino-3-(isoxazol-5-yl)propanoicacid;5-Isoxazolepropanoicacid,alpha-amino-(9CI);2-amino-3-(1,2-oxazol-5-yl)propanoic acid;EN300-263168

Chemical Property of 2-Amino-3-(isoxazol-5-yl)propanoic acid

Chemical Property:

• Boiling Point: 345.4±32.0 °C(Predicted)
• PKA: 2.05±0.10(Predicted)
• PSA: 89.35000
• Density: 1.376±0.06 g/cm3(Predicted)
• LogP: 0.32930
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(ON=C1)CC(C(=O)O)N