| CAS Number | 1333575-88-4 |
| Catalog Number | AG01AK72(AGN-PC-0WOVR0) |
| Chemical Name | 2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(3-ethyl-1,2,4-triazol-4-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C6H12N4.2ClH/c1-2-6-9-8-5-10(6)4-3-7;;/h5H,2-4,7H2,1H3;2*1H |
| InChI Key | CQPSORBAUQNBIP-UHFFFAOYSA-N |
| MDL Number | MFCD19982450 |
| Molecular Formula | C6H14Cl2N4 |
| Molecular Weight | 213.1082 |
| SMILES | Cl.Cl.CCC1N(CCN)C=NN=1 |
| Synonyms | 2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethan-1-amine dihydrochloride,
1333575-88-4,
AKOS026744713,
MCULE-6992716241,
NE51660,
EN300-82882,
|
| Complexity | 95.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.106g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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