| CAS Number | 92539-13-4 |
| Catalog Number | AG01A04R(AGN-PC-040COK) |
| Chemical Name | 1-[(4-bromophenyl)methyl]piperidin-4-amine |
| IUPAC Name | 1-[(4-bromophenyl)methyl]piperidin-4-amine |
| InChI | InChI=1S/C12H17BrN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2 |
| InChI Key | DDPNUBVUABSUEG-UHFFFAOYSA-N |
| MDL Number | MFCD10033711 |
| Molecular Formula | C12H17BrN2 |
| Molecular Weight | 269.1808 |
| SMILES | BrC1=CC=C(CN2CCC(CC2)N)C=C1 |
| Synonyms | 1-[(4-bromophenyl)methyl]piperidin-4-amine,
92539-13-4,
1-(4-bromobenzyl)piperidin-4-amine,
SCHEMBL3141955,
DDPNUBVUABSUEG-UHFFFAOYSA-N,
BBL031710,
STL146787,
ZINC20266671,
4-amino-1-(4-bromobenzyl)piperidine,
1-(4-Bromobenzyl)-4-piperidinylamine,
AKOS005202220,
MCULE-4328431944,
NE31935,
Z1421528238,
|
| Complexity | 182 |
| 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
Lot Number