| CAS Number | 1049791-50-5 |
| Catalog Number | AG00HAK3(AGN-PC-0WB6CK) |
| Chemical Name | (1-[1-(2-Fluorophenyl)-1h-pyrazol-4-yl]ethyl)amine hydrochloride |
| IUPAC Name | 1-[1-(2-fluorophenyl)pyrazol-4-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C11H12FN3.ClH/c1-8(13)9-6-14-15(7-9)11-5-3-2-4-10(11)12;/h2-8H,13H2,1H3;1H |
| InChI Key | GQNXDOBZAROXCY-UHFFFAOYSA-N |
| MDL Number | MFCD24848229 |
| Molecular Formula | C11H13ClFN3 |
| Molecular Weight | 241.6924 |
| SMILES | N1(C2=CC=CC=C2F)C=C(C=N1)C(C)N.Cl |
| Synonyms | 1049791-50-5,
{1-[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]ethyl}amine hydrochloride,
1-(1-(2-Fluorophenyl)-1H-pyrazol-4-yl)ethanamine hydrochloride,
(1-[1-(2-FLUOROPHENYL)-1H-PYRAZOL-4-YL]ETHYL)AMINE HYDROCHLORIDE,
ZX-CM002072,
MFCD09431461,
AKOS004107378,
MCULE-9442448785,
T0634,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.694g/mol |
| Monoisotopic Mass | 241.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number