| CAS Number | 1798001-98-5 |
| Catalog Number | AG01AG2V(AGN-PC-0WO57C) |
| Chemical Name | 1-(1-Methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(1-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C5H10N4.ClH/c1-4(6)5-7-3-9(2)8-5;/h3-4H,6H2,1-2H3;1H |
| InChI Key | RNVCHOPWLVALNI-UHFFFAOYSA-N |
| MDL Number | MFCD27920323 |
| Molecular Formula | C5H11ClN4 |
| Molecular Weight | 162.6206 |
| SMILES | Cl.CC(C1=NN(C)C=N1)N |
| Synonyms | 1-(1-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride,
1798001-98-5,
1-(1-Methyl-1H-1,2,4-triazol-3-yl)ethanamine HCl,
MFCD27920323,
AKOS026727793,
MCULE-5910571401,
NE17251,
AS-43605,
Z1744710689,
1-(1-Methyl-1H-1,2,4-triazol-3-yl)ethanamine hydrochloride,
N/A,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.621g/mol |
| Monoisotopic Mass | 162.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number