5-[(Dimethylamino)methyl]-1H-imidazole-4-carboxylic acid

Base Information

• Chemical Name: 5-[(Dimethylamino)methyl]-1H-imidazole-4-carboxylic acid
• CAS No.: 586965-43-7
• Molecular Formula: C7H11N3O2
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID50558243
• Mol file: 586965-43-7.mol

Synonyms:586965-43-7;5-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOLE-4-CARBOXYLIC ACID;DTXSID50558243;5-dimethylaminomethyl-imidazole-4-carboxylic acid;4-((Dimethylamino)methyl)-1H-imidazole-5-carboxylic acid

Chemical Property of 5-[(Dimethylamino)methyl]-1H-imidazole-4-carboxylic acid

Chemical Property:

• PSA: 69.22000
• LogP: 0.16950
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=C(N=CN1)C(=O)O