| CAS Number | 1955548-47-6 |
| Catalog Number | AG01B2QX |
| Chemical Name | 1-(5-Ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride |
| IUPAC Name | 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanol;hydrochloride |
| InChI | InChI=1S/C6H11N3O.ClH/c1-3-5-7-6(4(2)10)9-8-5;/h4,10H,3H2,1-2H3,(H,7,8,9);1H |
| InChI Key | YLTZLPMOPGOEPA-UHFFFAOYSA-N |
| MDL Number | MFCD29991703 |
| Molecular Formula | C6H12ClN3O |
| Molecular Weight | 177.6320 |
| SMILES | Cl.CCC1NN=C(C(O)C)N=1 |
| Synonyms | 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride,
1955548-47-6,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.632g/mol |
| Monoisotopic Mass | 177.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number