| CAS Number | 1247670-36-5 |
| Catalog Number | AG01A18U(AGN-PC-0WAG6Y) |
| Chemical Name | 3-(dimethyl-4H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 3-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C10H12N4/c1-7-12-13-10(14(7)2)8-4-3-5-9(11)6-8/h3-6H,11H2,1-2H3 |
| InChI Key | ZNIZTSHAMGPJNT-UHFFFAOYSA-N |
| MDL Number | MFCD14639068 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | CC1N(C)C(C2=CC(N)=CC=C2)=NN=1 |
| Synonyms | 3-(dimethyl-4H-1,2,4-triazol-3-yl)aniline,
1247670-36-5,
ZINC42013815,
AKOS010610515,
MCULE-1879982559,
NE32204,
3-?(4,?5-?dimethyl-?4H-?1,?2,?4-?triazol-?3-?yl)?-Benzenamine,
3-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-Benzenamine,
|
| Complexity | 197 |
| 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 | 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