| CAS Number | 616879-04-0 |
| Catalog Number | AG019NIN(AGN-PC-015QVS) |
| Chemical Name | 2-[4-(3,5-Dimethyl-1h-pyrazol-1-yl)phenyl]ethanamine |
| IUPAC Name | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanamine |
| InChI | InChI=1S/C13H17N3/c1-10-9-11(2)16(15-10)13-5-3-12(4-6-13)7-8-14/h3-6,9H,7-8,14H2,1-2H3 |
| InChI Key | LBJNLRDAEIHAJO-UHFFFAOYSA-N |
| MDL Number | MFCD08443148 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | CC1=NN(C2=CC=C(CCN)C=C2)C(C)=C1 |
| Synonyms | 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethanamine,
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]ethan-1-amine,
EN300-40520,
616879-04-0,
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethanamine,
AC1Q2IG8,
SCHEMBL6098368,
CTK7E7453,
ZINC21952602,
AKOS000125843,
MCULE-2595788840,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.3g/mol |
| Monoisotopic Mass | 215.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number