5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
[CAS# 953061-59-1]

Identification

• Name: 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
• Synonyms: 3,4,5-TRIBROMO-2-HYDROXY-BENZALDEHYDE; 3,4,6,7-Tetrahydro-imidazo[4,5-c]pyridine-5,6-dicarboxylic acid 5-tert-butyl ester; 5-[(tert-butyl)oxycarbonyl]-4,5,6,7-tetrahydroimidazo[5,4-c]pyridine-6-carboxy lic acid
• Molecular Formula: C₁₂H₁₇N₃O₄
• Molecular Weight: 267.28
• CAS Registry Number: 953061-59-1
• SMILES: O=C(OC(C)(C)C)N2Cc1c(ncn1)CC2C(=O)O
• InChI: 1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-8-7(13-6-14-8)4-9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)
• InChIKey: YGCXTGCCLCADLQ-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 533.113°C at 760 mmHg (Cal.)
• Flash point: 276.217°C (Cal.)
• Refractive index: 1.574 (Cal.)