2-[(2-Ammonio-3-Hydroxybutanoyl)Amino]-3-Phenylpropanoate
[CAS# 16875-27-7]

Identification

• Name: 2-[(2-Ammonio-3-Hydroxybutanoyl)Amino]-3-Phenylpropanoate
• Synonyms: thr-phe; H-THR-PHE-OH
• Molecular Formula: C₁₃H₁₈N₂O₄
• Molecular Weight: 266.29
• CAS Registry Number: 16875-27-7
• SMILES: [O-]C(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1
• InChI: 1S/C13H18N2O4/c1-8(16)11(14)12(17)15-10(13(18)19)7-9-5-3-2-4-6-9/h2-6,8,10-11,16H,7,14H2,1H3,(H,15,17)(H,18,19)
• InChIKey: IQHUITKNHOKGFC-UHFFFAOYSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 580.308°C at 760 mmHg (Cal.)
• Flash point: 304.759°C (Cal.)
• Refractive index: 1.579 (Cal.)