2-Butyl-5-imidazolecarboxylic acid

Base Information

• Chemical Name: 2-Butyl-5-imidazolecarboxylic acid
• CAS No.: 473263-84-2
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.195
• UNII: N5R021798A
• DSSTox Substance ID: DTXSID00197106
• Nikkaji Number: J2.490.835F
• Wikidata: Q27284582
• Mol file: 473263-84-2.mol

Synonyms:2-Butyl-5-imidazolecarboxylic acid;473263-84-2;2-butyl-1H-imidazole-5-carboxylic acid;2-Butyl-4-imidazolecarboxylic acid;UNII-N5R021798A;1H-Imidazole-4-carboxylic acid, 2-butyl-;1H-Imidazole-5-carboxylic acid, 2-butyl-;N5R021798A;2-BUTYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID;DTXSID00197106;AKOS006292739;Q27284582

Chemical Property of 2-Butyl-5-imidazolecarboxylic acid

Chemical Property:

• PSA: 65.98000
• LogP: 1.45050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC=C(N1)C(=O)O