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CAS Number: 117860-54-5
3-amino-1-methyl-1H-pyrazole-5-carboxylic acid

Structure

3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
Name: 3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 117860545
CAS Number:
117860-54-5
Name:
3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
Synonyms:
1H-Pyrazole-5-carboxylicacid,3-amino-1-methyl-(9CI)
Chemical Formula: C5H7N3O2
Exact Mass: 141.05
Molecular Weight: 141.13
m/z: 141.05 (100.0%), 142.06 (5.6%), 142.05 (1.1%)
Elemental Analysis: C, 42.55; H, 5.00; N, 29.77; O, 22.67
MDL:. MFCD06805281 
InChI: InChI=1S/C5H7N3O2/c1-8-3(5(9)10)2-4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10)
InChIKey: UYTYLLQCQDBCDW-UHFFFAOYSA-N
Canonical SMILES : CN1C(=CC(=N1)N)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 240.5-241.5 °C   (3)IC

Specification

98%

References

PCT Int. Appl. (2012), WO 2012010826 A1 20120126.  

U.S. Pat. Appl. Publ. (2011), US 20110207704 A1 20110825.

PCT Int. Appl. (2011), WO 2011071570 A1 20110616.                                 

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  • (3) Lee, Ho H.; Journal of Organic Chemistry 1989, V54(2), P428-31 CAPLUS
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