| CAS Number | 1461706-10-4 |
| Catalog Number | AG01A65U |
| Chemical Name | 3-(1H-1,2,3-Triazol-4-yl)aniline dihydrochloride |
| IUPAC Name | 3-(2H-triazol-4-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C8H8N4.2ClH/c9-7-3-1-2-6(4-7)8-5-10-12-11-8;;/h1-5H,9H2,(H,10,11,12);2*1H |
| InChI Key | AODYOQRLJMHSMN-UHFFFAOYSA-N |
| MDL Number | MFCD25970294 |
| Molecular Formula | C8H10Cl2N4 |
| Molecular Weight | 233.0978 |
| SMILES | Cl.Cl.NC1=CC(C2N=NNC=2)=CC=C1 |
| Synonyms | 3-(1H-1,2,3-triazol-4-yl)aniline dihydrochloride,
1461706-10-4,
MCULE-8056376242,
NE59075,
Z1649893378,
|
| Complexity | 150 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.096g/mol |
| Monoisotopic Mass | 232.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number