| CAS Number | 1340067-67-5 |
| Catalog Number | AG01BFY7 |
| Chemical Name | [4-(1-methyl-1H-pyrazol-5-yl)phenyl]methanamine |
| IUPAC Name | [4-(2-methylpyrazol-3-yl)phenyl]methanamine |
| InChI | InChI=1S/C11H13N3/c1-14-11(6-7-13-14)10-4-2-9(8-12)3-5-10/h2-7H,8,12H2,1H3 |
| InChI Key | DAJPQXIHISNGPV-UHFFFAOYSA-N |
| MDL Number | MFCD19620675 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | CN1C(C2=CC=C(CN)C=C2)=CC=N1 |
| Synonyms | [4-(1-methyl-1H-pyrazol-5-yl)phenyl]methanamine,
1340067-67-5,
ZINC69020001,
AKOS013276857,
NE50203,
|
| Complexity | 175 |
| 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 | 0.8 |
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Certificate of Analysis
Lot Number