| CAS Number | 1207529-87-0 |
| Catalog Number | AG00J3BA(AGN-PC-0WRAU3) |
| Chemical Name | N-Methyl-1-(5-phenyl-1H-pyrazol-3-yl)methanamine oxalate |
| IUPAC Name | N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;oxalic acid |
| InChI | InChI=1S/C11H13N3.C2H2O4/c1-12-8-10-7-11(14-13-10)9-5-3-2-4-6-9;3-1(4)2(5)6/h2-7,12H,8H2,1H3,(H,13,14);(H,3,4)(H,5,6) |
| InChI Key | PDMXQCURSULJKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09839058 |
| Molecular Formula | C13H15N3O4 |
| Molecular Weight | 277.2759 |
| SMILES | C1(C2=CC=CC=C2)=CC(CNC)=NN1.C(O)(=O)C(O)=O |
| Synonyms | 1207529-87-0,
SCHEMBL1849370,
PDMXQCURSULJKQ-UHFFFAOYSA-N,
ZX-CM014234,
MCULE-2220017967,
N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine oxalate,
N-Methyl-1-(5-phenyl-1H-pyrazol-3-yl)methanamine oxalate, AldrichCPR,
N-Methyl-1-(5-phenyl-1H-pyrazol-3-yl)methanamine oxalate,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.106256g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.28g/mol |
| Monoisotopic Mass | 277.106256g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 115Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number