| CAS Number | 1218791-04-8 |
| Catalog Number | AG0016B3(AGN-PC-0WQZ2Q) |
| Chemical Name | 3-Ethyl-4-methyl-1H-pyrazole, HCl |
| IUPAC Name | 5-ethyl-4-methyl-1H-pyrazole;hydrochloride |
| InChI | InChI=1S/C6H10N2.ClH/c1-3-6-5(2)4-7-8-6;/h4H,3H2,1-2H3,(H,7,8);1H |
| InChI Key | APUFTSNULWOPRG-UHFFFAOYSA-N |
| MDL Number | MFCD18803465 |
| Molecular Formula | C6H11ClN2 |
| Molecular Weight | 146.6179 |
| SMILES | CCc1n[nH]cc1C.Cl |
| Synonyms | 3-ETHYL-4-METHYL-1H-PYRAZOLE HYDROCHLORIDE,
1218791-04-8,
CTK8A9485,
DTXSID40681978,
ANW-17910,
MFCD18803465,
3-Ethyl-4-methyl-1H-pyrazole, HCl,
1H-Pyrazole, 3-ethyl-4-methyl-, hydrochloride (1:1),
5-Ethyl-4-methyl-1H-pyrazole--hydrogen chloride (1/1),
K-1650,
|
| Complexity | 72.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.618g/mol |
| Monoisotopic Mass | 146.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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