| CAS Number | 1559062-05-3 |
| Catalog Number | AG00J2ZP(AGN-PC-0WB677) |
| Chemical Name | 3-(5-Ethyl-4H-1,2,4-triazol-3-yl)aniline dihydrochloride |
| IUPAC Name | 3-(5-ethyl-1H-1,2,4-triazol-3-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C10H12N4.2ClH/c1-2-9-12-10(14-13-9)7-4-3-5-8(11)6-7;;/h3-6H,2,11H2,1H3,(H,12,13,14);2*1H |
| InChI Key | FFNSYNIYBJPUEO-UHFFFAOYSA-N |
| MDL Number | MFCD26959487 |
| Molecular Formula | C10H14Cl2N4 |
| Molecular Weight | 261.1510 |
| SMILES | C1(C2=CC=CC(N)=C2)NC(=NN=1)CC.Cl.Cl |
| Synonyms | 1559062-05-3,
[3-(5-ethyl-4H-1,2,4-triazol-3-yl)phenyl]amine dihydrochloride,
ZX-CM011021,
MFCD26959487,
AKOS027426472,
A-6962,
3-(5-Ethyl-4H-1,2,4-triazol-3-yl)aniline dihydrochloride,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.15g/mol |
| Monoisotopic Mass | 260.06g/mol |
| Rotatable Bond Count | 2 |
| 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