| CAS Number | 1170134-78-7 |
| Catalog Number | AG019LMX(AGN-PC-0WORS1) |
| Chemical Name | 1-(3-Methylbenzyl)-1h-pyrazol-5-amine hydrochloride |
| IUPAC Name | 2-[(3-methylphenyl)methyl]pyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C11H13N3.ClH/c1-9-3-2-4-10(7-9)8-14-11(12)5-6-13-14;/h2-7H,8,12H2,1H3;1H |
| InChI Key | GKLLWKYWOZLEOB-UHFFFAOYSA-N |
| MDL Number | MFCD09971563 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | Cl.CC1=CC(CN2C(N)=CC=N2)=CC=C1 |
| Synonyms | 1-[(3-methylphenyl)methyl]-1H-pyrazol-5-amine hydrochloride,
1170134-78-7,
1-(3-methylbenzyl)-1H-pyrazol-5-amine hydrochloride,
AC1Q39F7,
CTK6C1092,
AKOS026741975,
MCULE-8331732051,
NE25161,
EN300-31824,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.704g/mol |
| Monoisotopic Mass | 223.088g/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