(2E)-3-(1H-Imidazol-4-yl)acrylic acid - L-histidine (1:1)
[CAS# 85586-47-6]

Identification

• Name: (2E)-3-(1H-Imidazol-4-yl)acrylic acid - L-histidine (1:1)
• Synonyms: L-histidine mono[3-(1H-imidazol-4-yl)acrylate]
• Molecular Formula: C₁₂H₁₅N₅O₄
• Molecular Weight: 293.28
• CAS Registry Number: 85586-47-6
• EINECS: 287-850-8
• SMILES: N[C@@H](Cc1cncn1)C(O)=O.OC(=O)/C=C/c1cncn1
• InChI: 1S/C6H9N3O2.C6H6N2O2/c7-5(6(10)11)1-4-2-8-3-9-4;9-6(10)2-1-5-3-7-4-8-5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1-4H,(H,7,8)(H,9,10)/b;2-1+/t5-;/m0./s1
• InChIKey: KJXYHPVSKYVDPW-OSRGESDQSA-N

Properties

• Boiling point: 759.9°C at 760 mmHg (Cal.)
• Flash point: 413.4°C (Cal.)