| CAS Number | 1390654-25-7 |
| Catalog Number | AG00J1LO |
| Chemical Name | [2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]amine dihydrochloride |
| IUPAC Name | 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C5H10N4.2ClH/c1-9-5(2-3-6)7-4-8-9;;/h4H,2-3,6H2,1H3;2*1H |
| InChI Key | UOWUFQFDRGYTTG-UHFFFAOYSA-N |
| MDL Number | MFCD09864385 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | N1C=NN(C)C=1CCN.Cl.Cl |
| Synonyms | [2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethyl]amine dihydrochloride,
1390654-25-7,
ZX-CM005018,
MFCD09864385,
2-(1-Methyl-1H-1,2,4-triazol-5-yl)ethanamine dihydrochloride, AldrichCPR,
856862-33-4,
|
| 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 |
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Lot Number