| CAS Number | 1354954-61-2 |
| Catalog Number | AG019S2Y(AGN-PC-0WOUF8) |
| Chemical Name | 2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C4H8N4.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2,(H,6,7,8);1H |
| InChI Key | ZUFDPYQPYMTUTR-UHFFFAOYSA-N |
| MDL Number | MFCD20441756 |
| Molecular Formula | C4H9ClN4 |
| Molecular Weight | 148.5941 |
| SMILES | Cl.NCCC1NC=NN=1 |
| Synonyms | 2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride,
1354954-61-2,
AKOS026743773,
MCULE-4063446586,
NE53727,
EN300-91605,
Z1687906395,
|
| Complexity | 65.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.594g/mol |
| Monoisotopic Mass | 148.052g/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