| CAS Number | 1248977-43-6 |
| Catalog Number | AG01BG64(AGN-PC-0WOTT9) |
| Chemical Name | N-(3-bromophenyl)piperidin-3-amine |
| IUPAC Name | N-(3-bromophenyl)piperidin-3-amine |
| InChI | InChI=1S/C11H15BrN2/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11/h1,3-4,7,11,13-14H,2,5-6,8H2 |
| InChI Key | XYCSVEITIBYJMS-UHFFFAOYSA-N |
| MDL Number | MFCD16066433 |
| Molecular Formula | C11H15BrN2 |
| Molecular Weight | 255.1542 |
| SMILES | BrC1=CC(NC2CNCCC2)=CC=C1 |
| Synonyms | N-(3-bromophenyl)piperidin-3-amine,
1248977-43-6,
AKOS010904947,
NE34077,
Z1918018977,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.159g/mol |
| Monoisotopic Mass | 254.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number