| CAS Number | 1772995-74-0 |
| Catalog Number | AG01DYVM |
| Chemical Name | [3-(4-bromo-2-methylphenoxy)propyl]dimethylamine |
| IUPAC Name | 3-(4-bromo-2-methylphenoxy)-N,N-dimethylpropan-1-amine |
| InChI | InChI=1S/C12H18BrNO/c1-10-9-11(13)5-6-12(10)15-8-4-7-14(2)3/h5-6,9H,4,7-8H2,1-3H3 |
| InChI Key | KTJZGGACUXUIDA-UHFFFAOYSA-N |
| MDL Number | MFCD27526900 |
| Molecular Formula | C12H18BrNO |
| Molecular Weight | 272.1814 |
| SMILES | CN(CCCOC1=C(C)C=C(Br)C=C1)C |
| Synonyms | 3-(4-bromo-2-methylphenoxy)-N,N-dimethylpropan-1-amine,
1772995-74-0,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.186g/mol |
| Monoisotopic Mass | 271.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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