| CAS Number | 1018617-44-1 |
| Catalog Number | AG01C354 |
| Chemical Name | 1-[(3-Bromophenyl)methyl]piperidin-4-amine |
| IUPAC Name | 1-[(3-bromophenyl)methyl]piperidin-4-amine |
| InChI | InChI=1S/C12H17BrN2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15/h1-3,8,12H,4-7,9,14H2 |
| InChI Key | UKTPRKGILBRQJV-UHFFFAOYSA-N |
| MDL Number | MFCD10033710 |
| Molecular Formula | C12H17BrN2 |
| Molecular Weight | 269.1808 |
| SMILES | NC1CCN(CC2=CC(Br)=CC=C2)CC1 |
| Synonyms | 1-[(3-bromophenyl)methyl]piperidin-4-amine,
1018617-44-1,
ZINC20266669,
AKOS005202219,
1-(3-bromobenzyl)piperidin-4-amine,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.186g/mol |
| Monoisotopic Mass | 268.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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