| CAS Number | 1354960-05-6 |
| Catalog Number | AG019QZR(AGN-PC-0WOT1C) |
| Chemical Name | 1-(3-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine dihydrochloride |
| IUPAC Name | 1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride |
| InChI | InChI=1S/C6H12N4.2ClH/c1-3-5(7)6-8-4(2)9-10-6;;/h5H,3,7H2,1-2H3,(H,8,9,10);2*1H |
| InChI Key | DORUQARZQMPLQG-UHFFFAOYSA-N |
| MDL Number | MFCD20441622 |
| Molecular Formula | C6H14Cl2N4 |
| Molecular Weight | 213.1082 |
| SMILES | Cl.Cl.CCC(C1NN=C(C)N=1)N |
| Synonyms | 1-(3-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine dihydrochloride,
1354960-05-6,
AKOS026742851,
NE55809,
EN300-88755,
|
| Complexity | 106 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.106g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number