| CAS Number | 1803593-70-5 |
| Catalog Number | AG01BD4J |
| Chemical Name | 2-(4-bromophenyl)-3-methylbutan-2-amine hydrochloride |
| IUPAC Name | 2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride |
| InChI | InChI=1S/C11H16BrN.ClH/c1-8(2)11(3,13)9-4-6-10(12)7-5-9;/h4-8H,13H2,1-3H3;1H |
| InChI Key | FMOHRFHYTBYOAN-UHFFFAOYSA-N |
| MDL Number | MFCD28012405 |
| Molecular Formula | C11H17BrClN |
| Molecular Weight | 278.6164 |
| SMILES | Cl.CC(C(C1=CC=C(Br)C=C1)(N)C)C |
| Synonyms | 2-(4-bromophenyl)-3-methylbutan-2-amine hydrochloride,
1803593-70-5,
NE21323,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.618g/mol |
| Monoisotopic Mass | 277.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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