| CAS Number | 1087792-28-6 |
| Catalog Number | AG019MUA(AGN-PC-0WODSL) |
| Chemical Name | 2-(4-methyl-4H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 2-(4-methyl-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C9H10N4/c1-13-6-11-12-9(13)7-4-2-3-5-8(7)10/h2-6H,10H2,1H3 |
| InChI Key | BYKDYGZXOLZDSH-UHFFFAOYSA-N |
| MDL Number | MFCD11099530 |
| Molecular Formula | C9H10N4 |
| Molecular Weight | 174.2025 |
| SMILES | CN1C(C2=C(N)C=CC=C2)=NN=C1 |
| Synonyms | 2-(4-methyl-4H-1,2,4-triazol-3-yl)aniline,
1087792-28-6,
AC1Q3Z30,
CTK7D9494,
ZINC32627258,
AKOS009313211,
MCULE-4246944517,
NE60115,
EN300-37302,
AB00995174-01,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.207g/mol |
| Monoisotopic Mass | 174.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number