| CAS Number | 858000-93-8 |
| Catalog Number | AG01A0FN(AGN-PC-0WO9MX) |
| Chemical Name | 2-(dimethyl-1H-1,2,4-triazol-1-yl)aniline |
| IUPAC Name | 2-(3,5-dimethyl-1,2,4-triazol-1-yl)aniline |
| InChI | InChI=1S/C10H12N4/c1-7-12-8(2)14(13-7)10-6-4-3-5-9(10)11/h3-6H,11H2,1-2H3 |
| InChI Key | YMRCSZSITNDYBS-UHFFFAOYSA-N |
| MDL Number | MFCD14630650 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | CC1=NN(C2=C(N)C=CC=C2)C(C)=N1 |
| Synonyms | 2-(dimethyl-1H-1,2,4-triazol-1-yl)aniline,
858000-93-8,
ZINC41062622,
AKOS010602874,
MCULE-5952294945,
NE19004,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number