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CAS Number: 5453-07-6
3-amino-5-methyl-1H-pyrazole-4-carbonitrile

Structure

3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Name: 3-amino-5-methyl-1H-pyrazole-4-carbonitrile
Synonyms:
General Information
Product Number: 5453076
CAS Registry Number:
5453-07-6
Name:
1H-Pyrazole-4-carbonitrile, 3-amino-5-methyl-
Pyrazole-4-carbonitrile, 3(or 5)-amino-5(or 3)-methyl- (6CI,7CI); 3-Amino-4-cyano-5-methylpyrazole; 3-Amino-5-methyl-1H-pyrazole-4-carbonitrile; 3-Amino-5-methylpyrazole-4-carbonitrile; 5-Amino-3-methylpyrazole-4-carbonitrile; 5-Amino-4-cyano-3-methyl-1H-pyrazole; 5-Amino-4-cyano-3-methylpyrazole; NSC 19055 
 
Alternate CAS Registry Numbers: 1204294-67-6
Deleted CAS Registry Numbers: 2942-60-1, 125247-77-0, 127820-61-5, 138254-50-9, 142893-45-6, 145317-08-4, 171912-18-8, 334765-39-8, 876344-55-7, 1017683-99-6, 1092683-56-1
 
Chemical Formula: C5H6N4
Exact Mass: 122.06
Molecular Weight: 122.13
m/z: 122.06 (100.0%), 123.06 (6.9%)
Elemental Analysis: C, 49.17; H, 4.95; N, 45.88
 
InChI: InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
InChIKey: CRRHJAMDQMQGKG-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=NN1)N)C#N
 
 
Thermal Properties Value Condition Note
Melting Point 162 °C   (6)CAS
Melting Point See full text   (4)CAS

Specification

98%

References

  • (3) Gao, Yaojun; Journal of Combinatorial Chemistry 2010, V12(1), P69-74 CAPLUS
  • (4) Krasavin, Mikhail; Letters in Organic Chemistry 2008, V5(7), P594-598 CAPLUS
  • (5) Singaravel, Mohan; Journal of Chemical and Pharmaceutical Research 2011, V3(1), P402-413 CAPLUS
  • (6) Hartke, K.; Pharmazeutische Zentralhalle 1968, V107(5), P348-55 CAPLUS
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