9-(3,4-Dihydroxybutyl)Adenine
[CAS# 69926-59-6]

Identification

• Name: 9-(3,4-Dihydroxybutyl)Adenine
• Synonyms: (2S)-4-(6-Amino-9-Purinyl)Butane-1,2-Diol; 1,2-Butanediol, 4-(6-Amino-9H-Purin-9-Yl)-, (S)-; 9-(3,4-Dihydroxybutyl)Adenine
• Molecular Formula: C₉H₁₃N₅O₂
• Molecular Weight: 223.23
• CAS Registry Number: 69926-59-6
• SMILES: [C@@H](CO)(CC[N]1C=NC2=C1N=CN=C2N)O
• InChI: 1S/C9H13N5O2/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-6(16)3-15/h4-6,15-16H,1-3H2,(H2,10,11,12)/t6-/m0/s1
• InChIKey: SJTGBHCHRMNUPZ-LURJTMIESA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 567.299°C at 760 mmHg (Cal.)
• Flash point: 296.892°C (Cal.)