| CAS Number | 1049792-52-0 |
| Catalog Number | AG00J0YA(AGN-PC-0WBYR0) |
| Chemical Name | (1-[1-(4-Methoxyphenyl)-1H-pyrazol-4-YL]ethyl)amine hydrochloride |
| IUPAC Name | 1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C12H15N3O.ClH/c1-9(13)10-7-14-15(8-10)11-3-5-12(16-2)6-4-11;/h3-9H,13H2,1-2H3;1H |
| InChI Key | FSDZABAZZCBYKG-UHFFFAOYSA-N |
| MDL Number | MFCD09431463 |
| Molecular Formula | C12H16ClN3O |
| Molecular Weight | 253.7279 |
| SMILES | N1(C2=CC=C(C=C2)OC)C=C(C=N1)C(C)N.Cl |
| Synonyms | 1049792-52-0,
(1-[1-(4-METHOXYPHENYL)-1H-PYRAZOL-4-YL]ETHYL)AMINE HYDROCHLORIDE,
{1-[1-(4-Methoxyphenyl)-1H-pyrazol-4-yl]ethyl}amine hydrochloride,
SCHEMBL14831756,
FSDZABAZZCBYKG-UHFFFAOYSA-N,
ZX-CM002077,
AKOS004107381,
MCULE-4312506398,
DB-111106,
1-(1-(4-methoxyphenyl)-1H-pyrazol-4-yl)ethanamine hydrochloride,
T0636,
1-[1-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethanamine,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.09819g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.73g/mol |
| Monoisotopic Mass | 253.09819g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number