| CAS Number | 400757-13-3 |
| Catalog Number | AG019X38 |
| Chemical Name | ([3,5-Dimethyl-1-(2-methylphenyl)-1h-pyrazol-4-yl]methyl)(methyl)amine |
| IUPAC Name | 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methylmethanamine |
| InChI | InChI=1S/C14H19N3/c1-10-7-5-6-8-14(10)17-12(3)13(9-15-4)11(2)16-17/h5-8,15H,9H2,1-4H3 |
| InChI Key | GSGOAIWYGOWBKD-UHFFFAOYSA-N |
| MDL Number | MFCD13195963 |
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.3208 |
| SMILES | CNCC1=C(C)N(C2=C(C)C=CC=C2)N=C1C |
| Synonyms | {[3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amine,
400757-13-3,
AC1Q413J,
CTK6I5303,
ZINC38342228,
AKOS010522751,
MCULE-1362149668,
NE33568,
EN300-53935,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.327g/mol |
| Monoisotopic Mass | 229.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number