2-Amino-1,9-Dihydro-9-(4-Hydroxy-3-(Hydroxymethyl)-2-Butenyl)-6H-Purin-6-One
[CAS# 99776-28-0]

Identification

• Name: 2-Amino-1,9-Dihydro-9-(4-Hydroxy-3-(Hydroxymethyl)-2-Butenyl)-6H-Purin-6-One
• Synonyms: 2-Amino-9-(4-Hydroxy-3-Methylol-But-2-Enyl)-3H-Purin-6-One; Nsc608700; 9-[4-Hydroxy-3-(Hydroxymethyl)But-2-Enyl]-1H-2-Aminopurin-6-One
• Molecular Formula: C₁₀H₁₃N₅O₃
• Molecular Weight: 251.24
• CAS Registry Number: 99776-28-0
• SMILES: C2=NC1=C(NC(=NC1=O)N)[N]2CC=C(CO)CO
• InChI: 1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h1,5,16-17H,2-4H2,(H3,11,13,14,18)
• InChIKey: XXQDQFMZLCTDTI-UHFFFAOYSA-N

Properties

• Density: 1.673g/cm³ (Cal.)
• Boiling point: 674.853°C at 760 mmHg (Cal.)
• Flash point: 361.938°C (Cal.)