| CAS Number | 847818-51-3 |
| Catalog Number | AG00IDFN(AGN-PC-03GSA9) |
| Chemical Name | 1-(3-Methylbutyl)pyrazole |
| IUPAC Name | 1-(3-methylbutyl)pyrazole |
| InChI | InChI=1S/C8H14N2/c1-8(2)4-7-10-6-3-5-9-10/h3,5-6,8H,4,7H2,1-2H3 |
| InChI Key | RQCXTQFGXVIBOW-UHFFFAOYSA-N |
| MDL Number | MFCD12405510 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CC(CCn1cccn1)C |
| Synonyms | 1-ISOPENTYL-1H-PYRAZOLE,
847818-51-3,
1-(3-Methylbutyl)pyrazole,
1-(3-METHYLBUTYL)-1H-PYRAZOLE,
SCHEMBL278529,
DTXSID20618924,
1H-Pyrazole, 1-(3-methylbutyl)-,
MFCD12405510,
ZINC42439756,
AKOS010675842,
A-2829,
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| Complexity | 91.3 |
| 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 | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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