| CAS Number | 1390654-61-1 |
| Catalog Number | AG00J2CC(AGN-PC-0WB6PM) |
| Chemical Name | 4-Isopropyl-1H-pyrazole hydrochloride |
| IUPAC Name | 4-propan-2-yl-1H-pyrazole;hydrochloride |
| InChI | InChI=1S/C6H10N2.ClH/c1-5(2)6-3-7-8-4-6;/h3-5H,1-2H3,(H,7,8);1H |
| InChI Key | MHRWAJSALFMMMC-UHFFFAOYSA-N |
| MDL Number | MFCD22666509 |
| Molecular Formula | C6H11ClN2 |
| Molecular Weight | 146.6179 |
| SMILES | C1(C(C)C)C=NNC=1.Cl |
| Synonyms | 4-Isopropyl-1H-pyrazole hydrochloride,
1390654-61-1,
4-(propan-2-yl)-1H-pyrazole hydrochloride,
MFCD22666509,
AKOS026745097,
NE59348,
4-Isopropyl-1H-pyrazole hydrochloride, AldrichCPR,
Z2418194166,
|
| Complexity | 70.9 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number