2-Oxo-3-phenylpropanoic acid - L-histidine (1:1)
[CAS# 93803-24-8]

Identification

• Name: 2-Oxo-3-phenylpropanoic acid - L-histidine (1:1)
• Synonyms: L-histidine mono(3-phenylpyruvate)
• Molecular Formula: C₁₅H₁₇N₃O₅
• Molecular Weight: 319.31
• CAS Registry Number: 93803-24-8
• EINECS: 298-294-0
• SMILES: N[C@@H](Cc1cncn1)C(O)=O.OC(=O)C(=O)Cc1ccccc1
• InChI: 1S/C9H8O3.C6H9N3O2/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-5(6(10)11)1-4-2-8-3-9-4/h1-5H,6H2,(H,11,12);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1
• InChIKey: HXWWOVBNGFGPHI-ZSCHJXSPSA-N

Properties

• Boiling point: 634.1°C at 760 mmHg (Cal.)
• Flash point: 337.3°C (Cal.)