Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-

HCID 34758

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 29936-71-8
Standard SMILES: CC(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1
InChIKey: DMQAICWZFPRRFO-UHFFFAOYSA-N
Molecular formula: C16H21NO3
Average molar mass: 275.34 g/mol
Monoisotopic mass: 275.15214353

Names & identifiers

Preferred name: Acetophenone, 4'-(hexahydro-1H-azepinyl)carbonylmethoxy-
IUPAC: 2-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone

Names & synonyms

29936-71-8BRN 1623790ACETOPHENONE, 4'-(HEXAHYDRO-1H-AZEPINYL)CARBONYLMETHOXY-4'-(Hexahydro-1H-azepinyl)carbonylmethoxyacetophenone1H-Azepine, hexahydro-1-(2-(p-acetylphenoxy)acetyl)-DTXSID101840425-20-04-00036 (Beilstein Handbook Reference)RefChem:316958DTXCID201065332-(4-acetylphenoxy)-1-(azepan-1-yl)ethanone2-(4-acetylphenoxy)-1-(azepan-1-yl)ethan-1-oneAKOS000209945

Database identifiers

CAS: 29936-71-8
PubChem CID: 34758
DTXSID: DTXSID10184042

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 327

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…