| CAS Number | 1379972-38-9 |
| Catalog Number | AG01B6OT |
| Chemical Name | 1-(4-bromophenyl)butan-2-amine hydrochloride |
| IUPAC Name | 1-(4-bromophenyl)butan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H14BrN.ClH/c1-2-10(12)7-8-3-5-9(11)6-4-8;/h3-6,10H,2,7,12H2,1H3;1H |
| InChI Key | KDDQKZZCLSLGPA-UHFFFAOYSA-N |
| MDL Number | MFCD08450625 |
| Molecular Formula | C10H15BrClN |
| Molecular Weight | 264.5898 |
| SMILES | Cl.CCC(CC1=CC=C(Br)C=C1)N |
| Synonyms | 1-(4-bromophenyl)butan-2-amine hydrochloride,
1379972-38-9,
Z2582143601,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.591g/mol |
| Monoisotopic Mass | 263.008g/mol |
| Rotatable Bond Count | 3 |
| 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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