| CAS Number | 1178272-15-5 |
| Catalog Number | AG01A2WJ(AGN-PC-0WO4H1) |
| Chemical Name | [2-(1-Methyl-1H-Pyrazol-4-Yl)Phenyl]Methanamine |
| IUPAC Name | [2-(1-methylpyrazol-4-yl)phenyl]methanamine |
| InChI | InChI=1S/C11H13N3/c1-14-8-10(7-13-14)11-5-3-2-4-9(11)6-12/h2-5,7-8H,6,12H2,1H3 |
| InChI Key | FFHNYBIVNRFWJO-UHFFFAOYSA-N |
| MDL Number | MFCD12824278 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | CN1N=CC(C2=C(CN)C=CC=C2)=C1 |
| Synonyms | [2-(1-methyl-1H-pyrazol-4-yl)phenyl]methanamine,
1178272-15-5,
ZINC38073072,
AKOS010262919,
NE29118,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number