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CAS Number: 304457-86-1
1-(1H-imidazol-4-yl)propan-1-one

Structure

 1-(1H-imidazol-4-yl)propan-1-one
Name: 1-(1H-imidazol-4-yl)propan-1-one
Synonyms:
General Information
Product Number: 304457861

CAS Registry Number 304457-86-1
Name:
1-?Propanone, 1-?(1H-?imidazol-?5-?yl)?-
1-Propanone, 1-(1H-imidazol-4-yl)- (9CI)
1-(1H-Imidazol-5-yl)-1-propanone
1-(1H-Imidazol-4-yl)-1-propanone

 

Chemical Formula: C6H8N2O
Exact Mass: 124.06
Molecular Weight: 124.14
m/z: 124.06 (100.0%), 125.07 (6.6%)

 

InChI:InChI=1S/C6H8N2O/c1-2-6(9)5-3-7-4-8-5/h3-4H,2H2,1H3,(H,7,8)

InChI Key:KLQYXTXNODUHGR-UHFFFAOYSA-N

Canonical SMILES:CCC(=O)C1=CN=CN1

 

Thermal Properties Value Condition Note
Melting Point 155-158 °C   (1)WSS

Specification

98%
References
  1. (1) Kawakami, Jun-Ichi; Synthesis 2003, (5), P677-680 CAPLUS
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