| CAS Number | 727993-37-5 |
| Catalog Number | AG01BCWT(AGN-PC-001GDH) |
| Chemical Name | 2-methyl-4-(1H-pyrazol-1-yl)aniline |
| IUPAC Name | 2-methyl-4-pyrazol-1-ylaniline |
| InChI | InChI=1S/C10H11N3/c1-8-7-9(3-4-10(8)11)13-6-2-5-12-13/h2-7H,11H2,1H3 |
| InChI Key | QJYXYKMDSQIDHK-UHFFFAOYSA-N |
| MDL Number | MFCD12169246 |
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.2144 |
| SMILES | CC1=C(N)C=CC(N2N=CC=C2)=C1 |
| Synonyms | 2-Methyl-4-(1H-pyrazol-1-yl)aniline,
727993-37-5,
102792-04-1,
2-methyl-4-(1H-pyrazol-1-yl)benzenamine,
SCHEMBL2191239,
QJYXYKMDSQIDHK-UHFFFAOYSA-N,
ZINC35278300,
AKOS009471111,
NE25443,
DA-03863,
FT-0748045,
Z2694742526,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.219g/mol |
| Monoisotopic Mass | 173.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number