| CAS Number | 1955506-49-6 |
| Catalog Number | AG01B562 |
| Chemical Name | [5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride |
| IUPAC Name | [5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C5H10N4O.ClH/c1-10-3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H |
| InChI Key | DTZBJPKOFDWLRR-UHFFFAOYSA-N |
| MDL Number | MFCD29991938 |
| Molecular Formula | C5H11ClN4O |
| Molecular Weight | 178.6200 |
| SMILES | Cl.COCC1NC(CN)=NN=1 |
| Synonyms | [5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride,
1955506-49-6,
Z2513338721,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.62g/mol |
| Monoisotopic Mass | 178.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number