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CAS Number: 56039-06-6
methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate

Structure

 methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
Name: methyl 5-(cyanomethyl)-1H-imidazole-4-carboxylate
Synonyms:
General Information
Product Number: 56039066

CAS Registry Number 56039-06-6
Name:
1H-?Imidazole-?5-?carboxylic acid, 4-?(cyanomethyl)?-?, methyl ester
1H-Imidazole-4-carboxylic acid, 5-(cyanomethyl)-, methyl ester (9CI)
Methyl (5-cyanomethyl)-1H-imidazole-4-carboxylate
Methyl 5-(cyanomethyl)imidazole-4-carboxylate

 

Chemical Formula: C7H7N3O2
Exact Mass: 165.05
Molecular Weight: 165.15
m/z: 165.05 (100.0%), 166.06 (7.7%), 166.05 (1.1%)

 

InChI:InChI=1S/C7H7N3O2/c1-12-7(11)6-5(2-3-8)9-4-10-6/h4H,2H2,1H3,(H,9,10)

InChI Key:CQEDFPODTPSGIJ-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(NC=N1)CC#N

Specification

98%
References

PCT Int. Appl. (2007), WO 2007047793 A2 20070426.                                 

PCT Int. Appl. (2003), WO 2003099840 A1 20031204. 
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