3-(dimethylamino)-1-(2-methyl-1H-imidazol-5-yl)-2-propen-1-one

Base Information

• Chemical Name: 3-(dimethylamino)-1-(2-methyl-1H-imidazol-5-yl)-2-propen-1-one
• CAS No.: 251096-49-8
• Molecular Formula: C9H13N3O
• Molecular Weight: 179.222
• DSSTox Substance ID: DTXSID401178428
• Mol file: 251096-49-8.mol

Synonyms:3-(dimethylamino)-1-(2-methyl-1H-imidazol-5-yl)-2-propen-1-one;DTXSID401178428;5-(3-Dimethylaminoprop-2-enoyl)-2-methylimidazole;5-(3-dimethylaminoprop-2-en-1-oyl)-2-methylimidazole

Chemical Property of 3-(dimethylamino)-1-(2-methyl-1H-imidazol-5-yl)-2-propen-1-one

Chemical Property:

• PSA: 48.99000
• LogP: 0.97610
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.105862047
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

3-(DIMETHYLAMINO)-1-(2-METHYL-1H-IMIDAZOL-5-YL)-2-PROPEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=C(N1)C(=O)C=CN(C)C