1-(2-Carboxyethyl)Adenine
[CAS# 64920-12-3]

Identification

• Name: 1-(2-Carboxyethyl)Adenine
• Synonyms: 3-(6-Amino-1-Purinyl)Propanoic Acid; 3-(6-Aminopurin-1-Yl)Propionic Acid; 1-(2-Carboxyethyl)Adenine
• Molecular Formula: C₈H₉N₅O₂
• Molecular Weight: 207.19
• CAS Registry Number: 64920-12-3
• SMILES: C([N]2C(=C1N=CN=C1N=C2)N)CC(O)=O
• InChI: 1S/C8H9N5O2/c9-7-6-8(11-3-10-6)12-4-13(7)2-1-5(14)15/h3-4H,1-2,9H2,(H,14,15)
• InChIKey: GIUJERYETBHNEB-UHFFFAOYSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Boiling point: 404.846°C at 760 mmHg (Cal.)
• Flash point: 198.644°C (Cal.)