| CAS Number | 1185508-90-0 |
| Catalog Number | AG0094G7(AGN-PC-0WBP90) |
| Chemical Name | 5-(3-Aminophenyl)-2,4-dihydro-3h-pyrazol-3-one hydrochloride |
| IUPAC Name | 3-(3-aminophenyl)-1,4-dihydropyrazol-5-one;hydrochloride |
| InChI | InChI=1S/C9H9N3O.ClH/c10-7-3-1-2-6(4-7)8-5-9(13)12-11-8;/h1-4H,5,10H2,(H,12,13);1H |
| InChI Key | TUKLPKUZQXYYPZ-UHFFFAOYSA-N |
| MDL Number | MFCD12028462 |
| Molecular Formula | C9H10ClN3O |
| Molecular Weight | 211.6482 |
| SMILES | O=C1NN=C(C1)c1cccc(c1)N.Cl.Cl |
| Synonyms | 5-(3-aminophenyl)-2,4-dihydro-3H-pyrazol-3-one hydrochloride,
1185508-90-0,
3-(3-Aminophenyl)-1H-pyrazol-5(4H)-one hydrochloride,
CTK7H6617,
0567AD,
AKOS015848103,
TR-061607,
5-(3-aminophenyl)-2,4-dihydropyrazol-3-one hydrochloride,
5-(3-Aminophenyl)-2,4-dihydro-3H-pyrazol-3-onehydrochloride,
C9H10ClN3O,
T2648,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.649g/mol |
| Monoisotopic Mass | 211.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number