1-(1H-imidazol-1-yl)acetone

Base Information

• Chemical Name: 1-(1H-imidazol-1-yl)acetone
• CAS No.: 131394-02-0
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.14052
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID10927178
• Nikkaji Number: J2.186.611C
• Wikidata: Q82901807
• Mol file: 131394-02-0.mol

Synonyms:131394-02-0;1-(1H-imidazol-1-yl)acetone;1-imidazol-1-ylpropan-2-one;1-(1H-imidazol-1-yl)propan-2-one;2-Propanone, 1-(1H-imidazol-1-yl)- (9CI);1-(1H-4-imidazolyl)acetone;SCHEMBL412255;DTXSID10927178;1-(Imidazol-1-yl)propan-2-one;FFNGQLCLQRIGDW-UHFFFAOYSA-N;AKOS000321377

Chemical Property of 1-(1H-imidazol-1-yl)acetone

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 279.177°C at 760 mmHg
• Flash Point: 122.642°C
• PSA: 34.89000
• Density: 1.106g/cm³
• LogP: 1.27410
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

1-(1H-Imidazol-1-yl)acetone hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CN1C=CN=C1