3-(1H-benzimidazol-1-yl)-2-methylpropanoic acid

Base Information

• Chemical Name: 3-(1H-benzimidazol-1-yl)-2-methylpropanoic acid
• CAS No.: 58555-21-8
• Molecular Formula: C11H12N2O2
• Molecular Weight: 204.23
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90387771
• ChEMBL ID: CHEMBL1518007
• Mol file: 58555-21-8.mol

Synonyms:58555-21-8;3-(1H-benzimidazol-1-yl)-2-methylpropanoic acid;3-Benzoimidazol-1-yl-2-methyl-propionic acid;3-(1H-1,3-benzodiazol-1-yl)-2-methylpropanoic acid;3-(benzimidazol-1-yl)-2-methylpropanoic acid;MLS-0083401.0001;MLS000123472;Cambridge id 6704591;Oprea1_240063;Oprea1_539701;F2164-0002;SCHEMBL2446284;CHEMBL1518007;BDBM89499;cid_2911125;DTXSID90387771;HMS2483G16;MFCD02737575;STK392486;AKOS000269222;AKOS016040196;LS-09436;SMR000124036;3-(1-benzimidazolyl)-2-methylpropanoic acid;BB 0219116;EN300-41456;3-(benzimidazol-1-yl)-2-methyl-propanoic acid;3-(benzimidazol-1-yl)-2-methyl-propionic acid;SR-01000496170;SR-01000496170-1;Z420848232;3-benzoimidazol-1-yl-2-methyl-propionic acid, AldrichCPR;Tert-Butyl3-((methylamino)methyl)piperidine-1-carboxylate

Chemical Property of 3-(1H-benzimidazol-1-yl)-2-methylpropanoic acid

Chemical Property:

• PSA: 55.12000
• LogP: 1.75700
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-1,3-benzodiazol-1-yl)-2-methylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C=NC2=CC=CC=C21)C(=O)O