| CAS Number | 1262751-42-7 |
| Catalog Number | AG00J3BR(AGN-PC-0WB7B7) |
| Chemical Name | [(1S)-1-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride |
| IUPAC Name | (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C5H10N4.2ClH/c1-3(6)5-7-4(2)8-9-5;;/h3H,6H2,1-2H3,(H,7,8,9);2*1H/t3-;;/m0../s1 |
| InChI Key | VUKQBFLHDHDODR-QTNFYWBSSA-N |
| MDL Number | MFCD24386221 |
| Molecular Formula | C5H12Cl2N4 |
| Molecular Weight | 199.0816 |
| SMILES | C1([C@H](C)N)NC(=NN=1)C.Cl.Cl |
| Synonyms | 1262751-42-7,
[(1S)-1-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine dihydrochloride,
(1S)-1-(5-methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride,
ZX-CM014333,
AKOS027426253,
(1S)-1-(5-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride, AldrichCPR,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.079g/mol |
| Monoisotopic Mass | 198.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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