3-(2-Amino-6-Oxo-3H-Purin-7-Yl)Propanoic Acid
[CAS# 1082-07-1]

Identification

• Name: 3-(2-Amino-6-Oxo-3H-Purin-7-Yl)Propanoic Acid
• Synonyms: 3-(2-Amino-6-Keto-3H-Purin-7-Yl)Propionic Acid; 7-(2-Carboxyethyl)Guanine; 7-Ce-Gua
• Molecular Formula: C₈H₉N₅O₃
• Molecular Weight: 223.19
• CAS Registry Number: 1082-07-1
• SMILES: C1=NC2=C([N]1CCC(O)=O)C(=O)N=C(N2)N
• InChI: 1S/C8H9N5O3/c9-8-11-6-5(7(16)12-8)13(3-10-6)2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,11,12,16)
• InChIKey: ZGZWMFXNXFNBOT-UHFFFAOYSA-N

Properties

• Density: 1.892g/cm³ (Cal.)
• Boiling point: 648.276°C at 760 mmHg (Cal.)
• Flash point: 345.865°C (Cal.)