| CAS Number | 1305711-88-9 |
| Catalog Number | AG01AGNJ |
| Chemical Name | 2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C6H12N4.2ClH/c1-2-10-5-8-9-6(10)3-4-7;;/h5H,2-4,7H2,1H3;2*1H |
| InChI Key | JVLCQIDUCMEURJ-UHFFFAOYSA-N |
| MDL Number | MFCD22666470 |
| Molecular Formula | C6H14Cl2N4 |
| Molecular Weight | 213.1082 |
| SMILES | Cl.Cl.CCN1C(CCN)=NN=C1 |
| Synonyms | 2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride,
1305711-88-9,
NE51487,
EN300-72335,
Z1266823174,
2-(4-ethyl-4h-1,2,4-triazol-3-yl)ethylamine dihydrochloride,
AC1Q3AAF,
936940-57-7,
|
| Complexity | 95.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.059552g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.11g/mol |
| Monoisotopic Mass | 212.059552g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number