| CAS Number | 361549-92-0 |
| Catalog Number | AG01A35A(AGN-PC-0WOCB4) |
| Chemical Name | 3-(3-methyl-4H-1,2,4-triazol-4-yl)aniline |
| IUPAC Name | 3-(3-methyl-1,2,4-triazol-4-yl)aniline |
| InChI | InChI=1S/C9H10N4/c1-7-12-11-6-13(7)9-4-2-3-8(10)5-9/h2-6H,10H2,1H3 |
| InChI Key | HDHARNKHVMXBHA-UHFFFAOYSA-N |
| MDL Number | MFCD21984471 |
| Molecular Formula | C9H10N4 |
| Molecular Weight | 174.2025 |
| SMILES | CC1N(C2=CC(N)=CC=C2)C=NN=1 |
| Synonyms | 3-(3-methyl-4H-1,2,4-triazol-4-yl)aniline,
361549-92-0,
SCHEMBL6756652,
ZINC82587749,
AKOS022794476,
MCULE-7010169274,
NE34375,
benzenamine, 3-(3-methyl-4h-1,2,4-triazol-4-yl),
|
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number