1-Pentofuranosyl-1H-1,2,4-triazol-3-amine
[CAS# 686299-18-3]

Identification

• Name: 1-Pentofuranosyl-1H-1,2,4-triazol-3-amine
• Synonyms: 1-pentofuranosyl-1h-1,2,4-triazol-3-amine; 2-(3-amino-1H-1,2,4-triazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; NSC133122
• Molecular Formula: C₇H₁₂N₄O₄
• Molecular Weight: 216.19
• CAS Registry Number: 686299-18-3
• SMILES: n1c(nn(c1)C2OC(C(O)C2O)CO)N
• InChI: 1S/C7H12N4O4/c8-7-9-2-11(10-7)6-5(14)4(13)3(1-12)15-6/h2-6,12-14H,1H2,(H2,8,10)
• InChIKey: XDPOXVUKFRYWOD-UHFFFAOYSA-N

Properties

• Density: 2.086g/cm³ (Cal.)
• Boiling point: 605.667°C at 760 mmHg (Cal.)
• Flash point: 320.096°C (Cal.)
• Refractive index: 1.833 (Cal.)