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CAS Number: 1192-21-8
1-methyl-1H-pyrazol-5-amine

Structure

1-methyl-1H-pyrazol-5-amine
Name: 1-methyl-1H-pyrazol-5-amine
Synonyms:
General Information
Product Number: 1192218
CAS Registry Number: 1192-21-8
Name:
1H-​Pyrazol-​5-​amine, 1-​methyl-
Pyrazole, 5-​amino-​1-​methyl- (7CI,​8CI); (1-​Methyl-​1H-​pyrazol-​5-​yl)​amine; 1-​Methyl-​1H-​pyrazol-​5-​amine; 1-​Methyl-​5-​aminopyrazole; 2-​Methyl-​2H-​pyrazol-​3-​ylamine; 2-​Methylpyrazol-​3-​amine; 3-​Amino-​2-​methyl-​2H-​pyrazole; 5-​Amino-​1-​methyl-​1H-​pyrazole; 5-​Amino-​1-​methylpyrazole; NSC 76510 
 
Chemical Formula: C4H7N3
Exact Mass: 97.06
Molecular Weight: 97.12
m/z: 97.06 (100.0%), 98.07 (4.4%), 98.06 (1.1%)
Elemental Analysis: C, 49.47; H, 7.26; N, 43.27
 
InChI: InChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChIKey: VELRBZDRGTVGGT-UHFFFAOYSA-N
Canonical SMILES : COC1=NC=NC(=C1)N
 
Thermal Properties Value Condition Note
Boiling Point 127 °C Press: 12 Torr (1)CAS
Boiling Point 98-105 °C Press: 0.5 Torr (2)IC
Boiling Point 72-73 °C Press: 0.02 Torr (3)CAS
Melting Point 72 °C   (9)IC
Melting Point 71-72 °C   (1)CAS
Melting Point 71-72 °C   (3)CAS

Specification

98%

References
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  2. (2) Ege, Guenter; Journal of Heterocyclic Chemistry 1982, V19(6), P1267-73 CAPLUS
  3. (3) Dorn, Helmut; Chemische Berichte 1965, (10), P3368-76 CAPLUS
  4. (4) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Gonzalez, Emmanuel; Organic Magnetic Resonance 1979, V12(10), P587-92 CAPLUS
  7. (7) Bruix, Marta; Magnetic Resonance in Chemistry 1985, V23(5), P367-74 CAPLUS
  8. (8) Rayne, Sierra; Journal of Chemical & Engineering Data 2011, V56(2), P350-355 CAPLUS
  9. (9) Ferguson, Ian J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1977, (6), P672-5 CAPLUS
  10. (10) Lynch, Brian Maurice; Canadian Journal of Chemistry 1988, V66(3), P420-8 CAPLUS
  11. (11) Chu, Ih; Journal of Medicinal Chemistry 1975, V18(2), P161-5 CAPLUS
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