Basic information
- CAS
64058-23-7- Standard SMILES
CCCN=C(C(OC)c1ccccc1)N1CCCCCC1- InChIKey
DFKPLEFEIVTTOH-UHFFFAOYSA-N- Molecular formula
- C18H28N2O
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.22016352
Names & identifiers
- Preferred name
- Hexahydro-1-(2-methoxy-2-phenyl-N-propylacetimidoyl)-1H-azepine
- IUPAC
- 1-(azepan-1-yl)-2-methoxy-2-phenyl-N-propylethanimine
- English name
- Hexahydro-1-[2-methoxy-2-phenyl-1-(propylimino)ethyl]-1H-azepine
- Molecular formula
- C18H28N2O
- Molecular weight
- 288.43
Names & synonyms
64058-23-7Hexahydro-1-(2-methoxy-2-phenyl-N-propylacetimidoyl)-1H-azepineBRN 13892421-(2-Methoxy-2-phenyl-N-propylacetimidoyl)hexamethyleneimine1H-AZEPINE, HEXAHYDRO-1-(2-METHOXY-2-PHENYL-N-PROPYLACETIMIDOYL)-DTXSID001031672Hexahydro-1-[2-methoxy-2-phenyl-1-(propylimino)ethyl]-1H-azepineDB-3081081-Propanamine, N-[1-(hexahydro-1H-azepin-1-yl)-2-methoxy-2-phenylethylidene]-
Database identifiers
- CAS
64058-23-7- PubChem CID
- 47148
- DTXSID
DTXSID001031672- Nikkaji
- J84.638D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 416.3 · 416.3±34.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 11 · 11+-.0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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