Basic information
- CAS
6094-61-7- Standard SMILES
O=C1NCC2(CCN(C(c3ccccc3)c3ccccc3)CC2)O1- InChIKey
VKWYTTLGBBLSSB-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- 1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(diphenylmethyl)-
- IUPAC
- 8-benzhydryl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
- English name
- 8-(Diphenylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
- Molecular formula
- C20H22N2O2
- Molecular weight
- 322.4
Names & synonyms
BRN 05551111-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(diphenylmethyl)-8-(Diphenylmethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one8-(Diphenylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-oneDTXSID70209765RefChem:232674DTXCID201322566094-61-71-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(diphenylmethyl)-
Database identifiers
- CAS
6094-61-7- PubChem CID
- 201494
- DTXSID
DTXSID70209765- Nikkaji
- J42.549D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 521.1 · 521.1±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.43 · 12.43±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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