3-(1H-1,2,4-Triazol-1-Yl)Alanine
[CAS# 114419-45-3]

Identification

• Name: 3-(1H-1,2,4-Triazol-1-Yl)Alanine
• Synonyms: 2-Amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid; 3-(1,2,4-Triazol-1-yl)-L-alanine
• Molecular Formula: C₅H₈N₄O₂
• Molecular Weight: 156.14
• CAS Registry Number: 114419-45-3
• SMILES: O=C(O)C(N)Cn1ncnc1
• InChI: 1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)
• InChIKey: XVWFTOJHOHJIMQ-UHFFFAOYSA-N

Properties

• Density: 1.627g/cm³ (Cal.)
• Boiling point: 402.931°C at 760 mmHg (Cal.)
• Flash point: 197.486°C (Cal.)
• Refractive index: 1.691 (Cal.)

Safety Data

• Safety Description: Irritant