| CAS Number | 1909319-29-4 |
| Catalog Number | AG01C3W1 |
| Chemical Name | 2-(3-amino-1H-1,2,4-triazol-1-yl)acetic acid dihydrochloride |
| IUPAC Name | 2-(3-amino-1,2,4-triazol-1-yl)acetic acid;dihydrochloride |
| InChI | InChI=1S/C4H6N4O2.2ClH/c5-4-6-2-8(7-4)1-3(9)10;;/h2H,1H2,(H2,5,7)(H,9,10);2*1H |
| InChI Key | RAXKJBUAQKHPHR-UHFFFAOYSA-N |
| MDL Number | MFCD29762900 |
| Molecular Formula | C4H8Cl2N4O2 |
| Molecular Weight | 215.0379 |
| SMILES | Cl.Cl.NC1=NN(CC(O)=O)C=N1 |
| Synonyms | 2-(3-amino-1H-1,2,4-triazol-1-yl)acetic acid dihydrochloride,
1909319-29-4,
Z2379087855,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.034g/mol |
| Monoisotopic Mass | 214.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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