3-Amino-2,4,6-triazabicyclo[3.2.1]oct-2-ene-7-carboxylic acid
[CAS# 78314-79-1]

Identification

• Name: 3-Amino-2,4,6-triazabicyclo[3.2.1]oct-2-ene-7-carboxylic acid
• Synonyms: (1S,5R,7S)-3-Amino-2,4,6-triazabicyclo[3.2.1]oct-3-ene-7-carboxylic acid; 3-amino-2,4,6-triazabicyclo[3.2.1]oct-2-ene-7-carboxylic acid
• Molecular Formula: C₆H₁₀N₄O₂
• Molecular Weight: 170.17
• CAS Registry Number: 78314-79-1
• SMILES: C1C2C(NC1NC(=N2)N)C(=O)O
• InChI: 1S/C6H10N4O2/c7-6-8-2-1-3(10-6)9-4(2)5(11)12/h2-4,9H,1H2,(H,11,12)(H3,7,8,10)
• InChIKey: YQNZBBCYFJAWJK-UHFFFAOYSA-N

Properties

• Density: 2.195g/cm³ (Cal.)
• Boiling point: 434.103°C at 760 mmHg (Cal.)
• Flash point: 216.338°C (Cal.)