3-(1,3-Dihydroxypropan-2-Yloxymethyl)-6-Methyl-5H-Imidazo[1,2-a]Purin-9-One
[CAS# 134287-58-4]

Identification

• Name: 3-(1,3-Dihydroxypropan-2-Yloxymethyl)-6-Methyl-5H-Imidazo[1,2-a]Purin-9-One
• Synonyms: 3-[[2-Hydroxy-1-(Hydroxymethyl)Ethoxy]Methyl]-6-Methyl-5H-Imidazo[1,2-A]Purin-9-One; 3-[(2-Hydroxy-1-Methylol-Ethoxy)Methyl]-6-Methyl-5H-Imidazo[1,2-A]Purin-9-One; 2,4(1H,3H)-Pyrimidinedione, 1-((2R,3R,4S)-3,4-Bis(Hydroxymethyl)-2-Oxetanyl)-5-Methyl-
• Molecular Formula: C₁₂H₁₅N₅O₄
• Molecular Weight: 293.28
• CAS Registry Number: 134287-58-4
• SMILES: C1=NC3=C([N]1COC(CO)CO)N=C2NC(=CN2C3=O)C
• InChI: 1S/C12H15N5O4/c1-7-2-17-11(20)9-10(15-12(17)14-7)16(5-13-9)6-21-8(3-18)4-19/h2,5,8,18-19H,3-4,6H2,1H3,(H,14,15)
• InChIKey: LYHBHLCAKKIOQX-UHFFFAOYSA-N

Properties

• Density: 1.69g/cm³ (Cal.)
• Boiling point: 642.694°C at 760 mmHg (Cal.)
• Flash point: 342.489°C (Cal.)