1-(3'-Amino-3'-Carboxypropyl)Adenine
[CAS# 25643-88-3]

Identification

• Name: 1-(3'-Amino-3'-Carboxypropyl)Adenine
• Synonyms: 2-Amino-4-(6-Amino-1-Purinyl)Butanoic Acid; 2-Amino-4-(6-Aminopurin-1-Yl)Butyric Acid; 1-(3'-Amino-3'-Carboxypropyl)Adenine
• Molecular Formula: C₉H₁₂N₆O₂
• Molecular Weight: 236.23
• CAS Registry Number: 25643-88-3
• SMILES: C([N]2C=NC1=NC=NC1=C2N)CC(C(=O)O)N
• InChI: 1S/C9H12N6O2/c10-5(9(16)17)1-2-15-4-14-8-6(7(15)11)12-3-13-8/h3-5H,1-2,10-11H2,(H,16,17)
• InChIKey: DEJJDJCXTZJXEJ-UHFFFAOYSA-N

Properties

• Density: 1.768g/cm³ (Cal.)
• Boiling point: 454.243°C at 760 mmHg (Cal.)
• Flash point: 228.518°C (Cal.)