7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3,4-Dihydro-2H-1,4-Benzothiazine-3-Carboxylic Acid
[CAS# 30612-54-5]

Identification

• Name: 7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3,4-Dihydro-2H-1,4-Benzothiazine-3-Carboxylic Acid
• Synonyms: 7-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-5-Hydroxy-3,4-Dihydro-2H-1,4-Benzothiazine-3-Carboxylic Acid; 7-(2-Amino-3-Hydroxy-3-Keto-Propyl)-5-Hydroxy-3,4-Dihydro-2H-1,4-Benzothiazine-3-Carboxylic Acid; 2H-1,4-Benzothiazine-7-Propanoic Acid, Alpha-Amino-3-Carboxy-3,4-Dihydro-5-Hydroxy-
• Molecular Formula: C₁₂H₁₄N₂O₅S
• Molecular Weight: 298.31
• CAS Registry Number: 30612-54-5
• SMILES: C2=C1SCC(NC1=C(O)C=C2CC(N)C(=O)O)C(=O)O
• InChI: 1S/C12H14N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7,14-15H,1,4,13H2,(H,16,17)(H,18,19)
• InChIKey: ACUWXAUSGNGBKQ-UHFFFAOYSA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 617.169°C at 760 mmHg (Cal.)
• Flash point: 327.052°C (Cal.)