| CAS Number | 1170427-09-4 |
| Catalog Number | AG019V50 |
| Chemical Name | (3-[(3,5-Dimethyl-1h-pyrazol-1-yl)methyl]phenyl)methanamine dihydrochloride |
| IUPAC Name | [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c1-10-6-11(2)16(15-10)9-13-5-3-4-12(7-13)8-14;;/h3-7H,8-9,14H2,1-2H3;2*1H |
| InChI Key | XBDGUHWJFPCWSA-UHFFFAOYSA-N |
| MDL Number | MFCD11858129 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | Cl.Cl.CC1=NN(CC2=CC(CN)=CC=C2)C(C)=C1 |
| Synonyms | {3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}methanamine dihydrochloride,
1170427-09-4,
AC1Q3A7H,
CTK7E5408,
MCULE-8976569050,
NE45820,
EN300-43762,
|
| Complexity | 219 |
| 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 | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number