| CAS Number | 1798736-93-2 |
| Catalog Number | AG01BCYW(AGN-PC-0WOQZG) |
| Chemical Name | 4-(4H-1,2,4-triazol-4-yl)aniline dihydrochloride |
| IUPAC Name | 4-(1,2,4-triazol-4-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C8H8N4.2ClH/c9-7-1-3-8(4-2-7)12-5-10-11-6-12;;/h1-6H,9H2;2*1H |
| InChI Key | YFFLZKAWAXNHIQ-UHFFFAOYSA-N |
| MDL Number | MFCD28012355 |
| Molecular Formula | C8H10Cl2N4 |
| Molecular Weight | 233.0978 |
| SMILES | Cl.Cl.NC1=CC=C(N2C=NN=C2)C=C1 |
| Synonyms | 4-(4H-1,2,4-triazol-4-yl)aniline dihydrochloride,
1798736-93-2,
AKOS026741416,
MCULE-4016812768,
NE43633,
Z1834278539,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.096g/mol |
| Monoisotopic Mass | 232.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number