| CAS Number | 1040013-28-2 |
| Catalog Number | AG01BHH8 |
| Chemical Name | [1-(4-bromophenyl)propyl](hexyl)amine |
| IUPAC Name | N-[1-(4-bromophenyl)propyl]hexan-1-amine |
| InChI | InChI=1S/C15H24BrN/c1-3-5-6-7-12-17-15(4-2)13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3 |
| InChI Key | NZAMRKKLKFVHNF-UHFFFAOYSA-N |
| MDL Number | MFCD11123009 |
| Molecular Formula | C15H24BrN |
| Molecular Weight | 298.2618 |
| SMILES | CCCCCCNC(C1=CC=C(Br)C=C1)CC |
| Synonyms | [1-(4-bromophenyl)propyl](hexyl)amine,
1040013-28-2,
AKOS009079329,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.268g/mol |
| Monoisotopic Mass | 297.109g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
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Certificate of Analysis
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