3-(2-Amino-6-Oxo-3H-Purin-9-Yl)Propanoic Acid
[CAS# 84628-22-8]

Identification

• Name: 3-(2-Amino-6-Oxo-3H-Purin-9-Yl)Propanoic Acid
• Synonyms: 3-(2-Amino-6-Keto-3H-Purin-9-Yl)Propionic Acid; 9-(2-Carboxyethyl)Guanine; 9H-Purine-9-Propanoic Acid, 2-Amino-1,6-Dihydro-6-Oxo-, Compd. With 4-Amino-1-Methyl-2(1H)-Pyrimidinone (1:1)
• Molecular Formula: C₈H₉N₅O₃
• Molecular Weight: 223.19
• CAS Registry Number: 84628-22-8
• SMILES: C1=NC2=C([N]1CCC(O)=O)NC(=NC2=O)N
• InChI: 1S/C8H9N5O3/c9-8-11-6-5(7(16)12-8)10-3-13(6)2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,11,12,16)
• InChIKey: SZRCTAQIVWGFBF-UHFFFAOYSA-N

Properties

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