| CAS Number | 1158631-54-9 |
| Catalog Number | AG00J1IG(AGN-PC-0WBCUP) |
| Chemical Name | [2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(4-methyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C5H10N4.2ClH/c1-9-4-7-8-5(9)2-3-6;;/h4H,2-3,6H2,1H3;2*1H |
| InChI Key | CCTZRWQGXVCGSH-UHFFFAOYSA-N |
| MDL Number | MFCD11696467 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | N1(C)C=NN=C1CCN.Cl.Cl |
| Synonyms | 1158631-54-9,
2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride,
2-(4-methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride,
AC1Q3AID,
MFCD11696467,
AKOS015939608,
MCULE-7097328205,
NE46870,
BB 0240586,
EN300-69876,
Z1263820446,
[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride,
744994-00-1,
|
| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.079g/mol |
| Monoisotopic Mass | 198.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number