4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
• CAS No.: 495-77-2
• Molecular Formula: C7H9N3O2
• Molecular Weight: 167.16500
• Hs Code.: 2933990090
• NSC Number: 629424
• DSSTox Substance ID: DTXSID10327078
• Nikkaji Number: J906.066I
• Metabolomics Workbench ID: 44095
• ChEMBL ID: CHEMBL152548
• Mol file: 495-77-2.mol

Synonyms:4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid;spinacine

Chemical Property of 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Chemical Property:

• Melting Point: 265 °C
• Boiling Point: 552.2±50.0 °C(Predicted)
• PKA: 1.68±0.20(Predicted)
• PSA: 78.01000
• Density: 1.439±0.06 g/cm3(Predicted)
• LogP: -0.16260
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NCC2=C1N=CN2)C(=O)O
• Uses: 4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is a reactant in the preparation of 4,?5,?6,?7-?tetrahydro-?1H-?imidazo[4,?5-?c]?pyridine-?6-?carboxylic acids and analogs as antihypertensives.