Acefylline

• Catalog Number: ACM652379-1
• CAS: 652-37-9
• IUPAC Name: 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetic acid
• Synonyms: 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;Theophyllin-7-ylacetic acid;Caffeine Carboxylic Acid
• Molecular Weight: 238.2
• Molecular Formula: C9H10N4O4
• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
• InChI: HCYFGRCYSCXKNQ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
• Boiling Point: 475.5±37.0 °C
• Melting Point: 270-272 °C
• Purity: 98%+
• Density: 1.69±0.1g/ml
• Actives: 95%
• Physical State: Solid
• Typical Applications: Use as dispersing agent.