| CAS Number | 191089-20-0 |
| Catalog Number | AG002F0I(AGN-PC-01M6K8) |
| Chemical Name | 1-tert-Butyl-3-methyl-1H-pyrazole, tech grade |
| IUPAC Name | 1-tert-butyl-3-methylpyrazole |
| InChI | InChI=1S/C8H14N2/c1-7-5-6-10(9-7)8(2,3)4/h5-6H,1-4H3 |
| InChI Key | MQSBVYINPUYVMT-UHFFFAOYSA-N |
| MDL Number | MFCD09965818 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | Cc1ccn(n1)C(C)(C)C |
| Synonyms | 1-TERT-BUTYL-3-METHYL-1H-PYRAZOLE,
191089-20-0,
1-(tert-Butyl)-3-methyl-1H-pyrazole,
SCHEMBL2749111,
CTK8B1094,
DTXSID10591116,
ANW-23517,
MFCD09965818,
ZINC11920571,
AKOS006346555,
K-5696,
1-tert-Butyl-3-methyl-1H-pyrazole, tech grade,
1H-Pyrazole, 1-(1,1-dimethylethyl)-3-methyl-,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number