1-T-Butyl-benzoimidazole-6-carboxylic acid

Base Information

• Chemical Name: 1-T-Butyl-benzoimidazole-6-carboxylic acid
• CAS No.: 1199773-33-5
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60682043
• Wikidata: Q82606281
• Mol file: 1199773-33-5.mol

Synonyms:1199773-33-5;1-T-BUTYL-BENZOIMIDAZOLE-6-CARBOXYLIC ACID;1-(tert-Butyl)-1H-benzo[d]imidazole-6-carboxylic acid;3-tert-butylbenzimidazole-5-carboxylic acid;1-tert-Butyl-1H-benzimidazole-6-carboxylic acid;DTXSID60682043;ZXB77333;MFCD11043013;AKOS015838038;BS-20023;1-tert-butylbenzoimidazole-6-carboxylic acid;CS-0212664;1-tert-butyl-1H-1,3-benzodiazole-6-carboxylic acid

Chemical Property of 1-T-Butyl-benzoimidazole-6-carboxylic acid

Chemical Property:

• Boiling Point: 405.6±37.0 °C(Predicted)
• PKA: 3.40±0.30(Predicted)
• PSA: 55.12000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.48950
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

1-t-Butyl-benzoimidazole-6-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C=NC2=C1C=C(C=C2)C(=O)O