2-Benzyl-7-phenyl-6,8-dioxa-2-azaspiro[3.5]nonane
Basic information
- CAS
885518-17-2- Standard SMILES
c1ccc(CN2CC3(COC(c4ccccc4)OC3)C2)cc1- InChIKey
CCHJBPYEROIUIH-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 2-Benzyl-7-phenyl-6,8-dioxa-2-azaspiro[3.5]nonane
- IUPAC
- 2-benzyl-7-phenyl-6,8-dioxa-2-azaspiro[3.5]nonane
- English name
- 2-Benzyl-7-phenyl-6,8-dioxa-2-aza-spiro[3.5]nonane
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
885518-17-22-benzyl-7-phenyl-6,8-dioxa-2-azaspiro[3.5]nonane2-BENZYL-7-PHENYL-6,8-DIOXA-2-AZA-SPIRO[3.5]NONANEDTXSID306460965'-(N-Bezyl)-2-phenyl-spiro[5-(1,3-dioxane),3'-azetidine]AKOS0159613726,8-Dioxa-2-azaspiro[3.5]nonane, 7-phenyl-2-(phenylmethyl)-
Database identifiers
- CAS
885518-17-2- PubChem CID
- 24728005
- DTXSID
DTXSID30646096
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 427.5 · 427.5±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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