6-Imino-1,3-dimethyl-1,3,6,9-tetrahydro-2H-purin-2-one
[CAS# 671792-62-4]

Identification

• Name: 6-Imino-1,3-dimethyl-1,3,6,9-tetrahydro-2H-purin-2-one
• Synonyms: 2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol; 2H-purin-2-one, 1,3,6,9-tetrahydro-6-imino-1,3-dimethyl-; 6-imino-1,3-dimethyl-1,3,6,9-tetrahydro-2H-purin-2-one
• Molecular Formula: C₇H₉N₅O
• Molecular Weight: 179.18
• CAS Registry Number: 671792-62-4
• SMILES: CN1C2=C(C(=N)N(C1=O)C)N=CN2
• InChI: 1S/C7H9N5O/c1-11-5(8)4-6(10-3-9-4)12(2)7(11)13/h3,8H,1-2H3,(H,9,10)
• InChIKey: SZMYTAKQGWDBJI-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 412.8±37.0°C at 760 mmHg (Cal.)
• Flash point: 203.5±26.5°C (Cal.)
• Refractive index: 1.765 (Cal.)