Basic information
- CAS
1231-67-0- Standard SMILES
Fc1ccc(OCCCN2CCC3(CCCCC3)CC2)cc1- InChIKey
KNKVRBUZFVMBJT-UHFFFAOYSA-N- Molecular formula
- C19H28FNO
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.21549268
Names & identifiers
- Preferred name
- 3-Azaspiro(5.5)undecane, 3-(3-(p-fluorophenoxy)propyl)-
- IUPAC
- 3-[3-(4-fluorophenoxy)propyl]-3-azaspiro[5.5]undecane
- English name
- 3-[3-(p-Fluorophenoxy)propyl]-3-azaspiro[5.5]undecane
- Molecular formula
- C19H28FNO
- Molecular weight
- 305.43
Names & synonyms
1231-67-0BRN 13479343-AZASPIRO(5.5)UNDECANE, 3-(3-(p-FLUOROPHENOXY)PROPYL)-3-(3-(p-Fluorophenoxy)propyl)-3-azaspiro(5.5)undecaneDTXSID201538653-[3-(p-Fluorophenoxy)propyl]-3-azaspiro[5.5]undecaneRefChem:276793DTXCID80763563-[3-(4-fluorophenoxy)propyl]-3-azaspiro[5.5]undecane3-Azaspiro[5.5]undecane, 3-[3-(4-fluorophenoxy)propyl]-
Database identifiers
- CAS
1231-67-0- PubChem CID
- 14686
- DTXSID
DTXSID20153865- Nikkaji
- J84.628G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 145 · 145-155 °C(Press: 0.27 Torr)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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