5-(4-Pyridinylmethyl)-L-histidine
[CAS# 774529-58-7]

Identification

• Name: 5-(4-Pyridinylmethyl)-L-histidine
• Synonyms: (S)-2-amino-3-(5-(pyridin-4-ylmethyl)-1H-imidazol-4-yl)propanoic acid
• Molecular Formula: C₁₂H₁₄N₄O₂
• Molecular Weight: 246.27
• CAS Registry Number: 774529-58-7
• SMILES: c1cnccc1Cc2c(nc[nH]2)C[C@@H](C(=O)O)N
• InChI: 1S/C12H14N4O2/c13-9(12(17)18)6-11-10(15-7-16-11)5-8-1-3-14-4-2-8/h1-4,7,9H,5-6,13H2,(H,15,16)(H,17,18)/t9-/m0/s1
• InChIKey: XLPXWAJFYWDDJQ-VIFPVBQESA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 555.523°C at 760 mmHg (Cal.)
• Flash point: 289.77°C (Cal.)
• Refractive index: 1.64 (Cal.)