| CAS Number | 1909309-87-0 |
| Catalog Number | AG01C55C |
| Chemical Name | 2-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-amine dihydrochloride |
| IUPAC Name | 2-(1-methyltriazol-4-yl)propan-2-amine;dihydrochloride |
| InChI | InChI=1S/C6H12N4.2ClH/c1-6(2,7)5-4-10(3)9-8-5;;/h4H,7H2,1-3H3;2*1H |
| InChI Key | VUOMCXVYPHJVLN-UHFFFAOYSA-N |
| MDL Number | MFCD29763303 |
| Molecular Formula | C6H14Cl2N4 |
| Molecular Weight | 213.1082 |
| SMILES | Cl.Cl.CN1N=NC(C(N)(C)C)=C1 |
| Synonyms | 2-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-amine dihydrochloride,
1909309-87-0,
|
| Complexity | 123 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.106g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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