9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
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Basic information
- CAS
1785761-76-3- Standard SMILES
OC1CCOC2(CCN(Cc3ccccc3)CC2)C1- InChIKey
RLLPUQHBPAGCBP-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
- IUPAC
- 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
- English name
- 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
- Molecular formula
- C16H23NO2
- Molecular weight
- 261.36
Names & synonyms
9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-ol1785761-76-3MFCD267926821-oxa-9-azaspiro[5.5]undecan-4-ol, 9-(phenylmethyl)-SCHEMBL21590941DTXSID401218169ALBB-026574AKOS017259370AT41871LS-09105DB-170581CS-0448439
Show more names
9-benzyl-9-aza-1-oxaspiro[5.5]undecan-4-ol
EN300-378305
Database identifiers
- CAS
1785761-76-3- PubChem CID
- 75412477
- DTXSID
DTXSID401218169- Nikkaji
- J3.613.186A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 411.4 · 411.4±45.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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