Histidinal
[CAS# 23784-15-8]

Identification

• Name: Histidinal
• Synonyms: (2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propionaldehyde; C01929; 1H-Imidazole-4-Propanal, Alpha-Amino-, (S)-
• Molecular Formula: C₆H₉N₃O
• Molecular Weight: 139.16
• CAS Registry Number: 23784-15-8
• SMILES: [C@H](N)(CC1=CN=C[NH]1)C=O
• InChI: 1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/t5-/m0/s1
• InChIKey: VYOIELONWKIZJS-YFKPBYRVSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 350.234°C at 760 mmHg (Cal.)
• Flash point: 165.616°C (Cal.)

References

• (1): Ohashi Yoshiaki. Depiction of metabolome changes in histidine-starved Escherichia coli by CE-TOFMS, Molecular BioSystems, 2008