| CAS Number | 1246094-90-5 |
| Catalog Number | AG00A1F6 |
| Chemical Name | 6,7-Dihydroxy-N-methyl-N-propyl-aminotetraline hydrobromide |
| IUPAC Name | 6-[methyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2,3-diol;hydrobromide |
| InChI | InChI=1S/C14H21NO2.BrH/c1-3-6-15(2)12-5-4-10-8-13(16)14(17)9-11(10)7-12;/h8-9,12,16-17H,3-7H2,1-2H3;1H |
| InChI Key | UJQSLQTWHGOZDT-UHFFFAOYSA-N |
| MDL Number | MFCD10565892 |
| Molecular Formula | C14H22BrNO2 |
| Molecular Weight | 316.2340 |
| SMILES | CCCN(C)C1CCC2=CC(=C(C=C2C1)O)O.Br |
| Synonyms | 1246094-90-5,
6,7-Dihydroxy-N-methyl-N-propyl-aminotetraline hydrobromide,
6-(methyl(propyl)amino)-5,6,7,8-tetrahydronaphthalene-2,3-diol hydrobromide,
1246242-30-7,
Aminotetraline hydrobromide, 6,7-Dihydroxy-N-methyl,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.239g/mol |
| Monoisotopic Mass | 315.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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