| CAS Number | 1049764-99-9 |
| Catalog Number | AG00J127 |
| Chemical Name | {[1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amine hydrochloride |
| IUPAC Name | [1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C11H13N3.ClH/c1-9-3-2-4-11(5-9)14-8-10(6-12)7-13-14;/h2-5,7-8H,6,12H2,1H3;1H |
| InChI Key | XRCGASBFFBQHKP-UHFFFAOYSA-N |
| MDL Number | MFCD09431466 |
| Molecular Formula | C11H14ClN3 |
| Molecular Weight | 223.7020 |
| SMILES | N1(C2=CC=CC(C)=C2)C=C(C=N1)CN.Cl |
| Synonyms | {[1-(3-methylphenyl)-1h-pyrazol-4-yl]methyl}amine hydrochloride,
1049764-99-9,
([1-(3-Methylphenyl)-1h-pyrazol-4-yl]methyl)amine hydrochloride,
ZX-CM002620,
MFCD09431466,
AKOS004107389,
MCULE-9934439929,
DB-058929,
J-517734,
1-[1-(3-Methylphenyl)-1H-pyrazol-4-yl]methanamine hydrochloride,
5-methyl-1-phenyl-(1H-pyrazol-4-ylmethyl)amine hydrochloride,
400876-68-8,
1031843-25-0,
|
| 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