| CAS Number | 1114823-89-0 |
| Catalog Number | AG019N1D(AGN-PC-0WO787) |
| Chemical Name | 2-(4-Ethyl-4H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 2-(4-ethyl-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C10H12N4/c1-2-14-7-12-13-10(14)8-5-3-4-6-9(8)11/h3-7H,2,11H2,1H3 |
| InChI Key | JOBGOFDIZLJIDU-UHFFFAOYSA-N |
| MDL Number | MFCD11857767 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | CCN1C(C2=C(N)C=CC=C2)=NN=C1 |
| Synonyms | 2-(4-ethyl-4H-1,2,4-triazol-3-yl)aniline,
1114823-89-0,
AC1Q311F,
CTK6F0386,
ZINC32627483,
AKOS009320599,
NE15297,
EN300-39144,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number