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3-(Dibenzylamino)azepan-2-one
| Catalog Number | ACM83783771-1 |
| CAS | 83783-77-1 |
| Structure |  |
| IUPAC Name | 3-(dibenzylamino)azepan-2-one |
| Synonyms | 3-(Dibenzylamino)azepan-2-one;83783-77-1;3-[BIS(BENZYL)AMINO]HEXAHYDRO-2H-AZEPIN-2-ONE;3-(Bis(benzyl)amino)hexahydro-2H-azepin-2-one;EINECS 280-811-6;SCHEMBL22469461;DTXSID901003834;AM807911;3-[bis-(Benzyl)amino]hexahydro-2H-azepin-2-one;3-[Bis(phenylmethyl)amino]hexahydro-2H-azepin-2-one;6-(Dibenzylamino)-3,4,5,6-tetrahydro-2H-azepin-7-ol |
| Molecular Weight | 308.4g/mol |
| Molecular Formula | C20H24N2O |
| Canonical SMILES | C1CCNC(=O)C(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChI | InChI=1S/C20H24N2O/c23-20-19(13-7-8-14-21-20)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23) |
| InChI Key | BRAYCQJGMBISSA-UHFFFAOYSA-N |
| Complexity | 339 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 280-811-6 |
| Exact Mass | 308.188863393g/mol |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 308.188863393g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3Ų |
| X Log P3 | 3.5 |
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