| CAS Number | 1049749-91-8 |
| Catalog Number | AG019PHG(AGN-PC-0WORFT) |
| Chemical Name | 1-[(2-bromophenyl)methyl]-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 2-[(2-bromophenyl)methyl]pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C10H10BrN3.ClH/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14;/h1-6H,7,12H2;1H |
| InChI Key | CACBTWLUROEXDM-UHFFFAOYSA-N |
| MDL Number | MFCD07838425 |
| Molecular Formula | C10H11BrClN3 |
| Molecular Weight | 288.5714 |
| SMILES | Cl.NC1N(CC2=C(Br)C=CC=C2)N=CC=1 |
| Synonyms | 1-[(2-bromophenyl)methyl]-1H-pyrazol-5-amine hydrochloride,
1049749-91-8,
1-(2-bromobenzyl)-1H-pyrazol-5-amine hydrochloride,
AC1Q3CZJ,
CTK5I8739,
AKOS026741720,
MCULE-5872598171,
NE13730,
EN300-23661,
1-(2-Bromobenzyl)-1H-pyrazol-5-amine hydrochloride, AldrichCPR,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.573g/mol |
| Monoisotopic Mass | 286.982g/mol |
| Rotatable Bond Count | 2 |
| 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