2-Amino-9-[4-Hydroxy-2-(Hydroxymethyl)Butyl]-3H-Purin-6-One
[CAS# 105868-85-7]

Identification

• Name: 2-Amino-9-[4-Hydroxy-2-(Hydroxymethyl)Butyl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-(4-Hydroxy-2-Methylol-Butyl)-3H-Purin-6-One; (-)-9-[4-Hydroxy-2-(Hydroxymethyl)Butyl]Guanine; (-/+)-2Hm-Hbg
• Molecular Formula: C₁₀H₁₅N₅O₃
• Molecular Weight: 253.26
• CAS Registry Number: 105868-85-7
• SMILES: C1=NC2=C([N]1CC(CO)CCO)NC(=NC2=O)N
• InChI: 1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-6(4-17)1-2-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
• InChIKey: SCBFBAWJWLXVHS-UHFFFAOYSA-N

Properties

• Density: 1.686g/cm³ (Cal.)
• Boiling point: 637.794°C at 760 mmHg (Cal.)
• Flash point: 339.526°C (Cal.)