| CAS Number | 1559062-04-2 |
| Catalog Number | AG00J2ZH(AGN-PC-0WB6G0) |
| Chemical Name | 2-(3-amino-1H-1,2,4-triazol-1-yl)ethanol hydrochloride |
| IUPAC Name | 2-(3-amino-1,2,4-triazol-1-yl)ethanol;hydrochloride |
| InChI | InChI=1S/C4H8N4O.ClH/c5-4-6-3-8(7-4)1-2-9;/h3,9H,1-2H2,(H2,5,7);1H |
| InChI Key | VCFDDAFQXQELOV-UHFFFAOYSA-N |
| MDL Number | MFCD09864257 |
| Molecular Formula | C4H9ClN4O |
| Molecular Weight | 164.5935 |
| SMILES | N1=CN(N=C1N)CCO.Cl |
| Synonyms | 2-(3-amino-1H-1,2,4-triazol-1-yl)ethanol hydrochloride,
1559062-04-2,
ZX-CM011001,
AKOS027426471,
A-7017,
|
| Complexity | 88.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.593g/mol |
| Monoisotopic Mass | 164.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number