2-APB   Click here for help

GtoPdb Ligand ID: 2433

Synonyms: 2-aminoethoxydiphenyl borate | 2-aminoethoxydiphenylborane
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 35.25
Molecular weight 225.13
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCOB(c1ccccc1)c1ccccc1
Isomeric SMILES NCCOB(c1ccccc1)c1ccccc1
InChI InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChI Key BLZVCIGGICSWIG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-di(phenyl)boranyloxyethanamine
Synonyms Click here for help
2-aminoethoxydiphenyl borate | 2-aminoethoxydiphenylborane
Database Links Click here for help
CAS Registry No. 524-95-8
ChEMBL Ligand CHEMBL169233
GtoPdb PubChem SID 135649695
PubChem CID 1598
RCSB PDB Ligand FZ4
Search Google for chemical match using the InChIKey BLZVCIGGICSWIG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLZVCIGGICSWIG
Search UniChem for chemical match using the InChIKey BLZVCIGGICSWIG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLZVCIGGICSWIG
Wikipedia 2-Aminoethoxydiphenyl_borate

Product suppliers

View disclaimer

Tocris
2-APB
Cat. No. 1224