4-Methyl-2-oxopentanoic acid - L-histidine (1:1)
[CAS# 78000-40-5]

Identification

• Name: 4-Methyl-2-oxopentanoic acid - L-histidine (1:1)
• Synonyms: L-histidine mono(4-methyl-2-oxovalerate)
• Molecular Formula: C₁₂H₁₉N₃O₅
• Molecular Weight: 285.30
• CAS Registry Number: 78000-40-5
• EINECS: 278-816-3
• SMILES: N[C@@H](Cc1cncn1)C(O)=O.CC(C)CC(=O)C(O)=O
• InChI: 1S/C6H9N3O2.C6H10O3/c7-5(6(10)11)1-4-2-8-3-9-4;1-4(2)3-5(7)6(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4H,3H2,1-2H3,(H,8,9)/t5-;/m0./s1
• InChIKey: SEGLGXWKMQWPCB-JEDNCBNOSA-N

Properties

• Boiling point: 553.8°C at 760 mmHg (Cal.)
• Flash point: 288.7°C (Cal.)