3-Methylbutyl 3-amino-1H-1,2,4-triazole-5-carboxylate
[CAS# 91163-35-8]

Identification

• Name: 3-Methylbutyl 3-amino-1H-1,2,4-triazole-5-carboxylate
• Synonyms: isopentyl 5-amino-1H-1,2,4-triazole-3-carboxylate
• Molecular Formula: C₈H₁₄N₄O₂
• Molecular Weight: 198.22
• CAS Registry Number: 91163-35-8
• SMILES: CC(C)CCOC(=O)c1nc([nH]n1)N
• InChI: 1S/C8H14N4O2/c1-5(2)3-4-14-7(13)6-10-8(9)12-11-6/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
• InChIKey: HXAURIVGOPYSPI-UHFFFAOYSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 379.4°C at 760 mmHg (Cal.)
• Flash point: 183.255°C (Cal.)