| CAS Number | 2108832-00-2 |
| Catalog Number | AG01EJFL |
| Chemical Name | 1-[3,5-DImethyl-1-(2-methylphenyl)-1h-pyrazol-4-yl]methanamine dihydrochloride |
| IUPAC Name | [3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c1-9-6-4-5-7-13(9)16-11(3)12(8-14)10(2)15-16;;/h4-7H,8,14H2,1-3H3;2*1H |
| InChI Key | MHJZCEQQFHMMSY-UHFFFAOYSA-N |
| MDL Number | MFCD30099290 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | Cl.Cl.CC1C(CN)=C(C)N(C2=C(C)C=CC=C2)N=1 |
| Synonyms | 2108832-00-2,
1-[3,5-Dimethyl-1-(2-methylphenyl)-1h-pyrazol-4-yl]methanamine dihydrochloride,
[3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]methanamine dihydrochloride,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.216g/mol |
| Monoisotopic Mass | 287.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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