| CAS Number | 1183309-99-0 |
| Catalog Number | AG01AH4X(AGN-PC-0WO789) |
| Chemical Name | 4-[(4-Methyl-1H-pyrazol-1-yl)methyl]aniline |
| IUPAC Name | 4-[(4-methylpyrazol-1-yl)methyl]aniline |
| InChI | InChI=1S/C11H13N3/c1-9-6-13-14(7-9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3 |
| InChI Key | QWPPDCVKEZUYQW-UHFFFAOYSA-N |
| MDL Number | MFCD12763842 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | CC1=CN(CC2=CC=C(N)C=C2)N=C1 |
| Synonyms | 4-[(4-methyl-1H-pyrazol-1-yl)methyl]aniline,
1183309-99-0,
SCHEMBL13102481,
ZINC37676805,
AKOS008141042,
MCULE-7834345193,
NE55716,
EN300-73709,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number