Basic information
- CAS
134656-18-1- Standard SMILES
C1CCC2(CC1)NC1(CCCC1)CO2- InChIKey
UQPWWYJFNWMORQ-UHFFFAOYSA-N- Molecular formula
- C12H21NO
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.16231429
Names & identifiers
- Preferred name
- 13-Oxa-6-azadispiro[4.1.5.2]tetradecane
- IUPAC
- 13-oxa-6-azadispiro[4.1.57.25]tetradecane
- English name
- 13-Oxa-6-azadispiro[4.1.5.2]tetradecane(9CI)
- Molecular formula
- C12H21NO
- Molecular weight
- 195.3
Names & synonyms
134656-18-113-OXA-6-AZADISPIRO[4.1.5.2]TETRADECANE13-oxa-6-azadispiro[4.1.57.25]tetradecane13-Oxa-6-azadispiro[4.1.5.2]tetradecane(9CI)13-Oxa-6-azadispiro[4.1.5~7~.2~5~]tetradecaneSCHEMBL7118211DTXSID30592741UQPWWYJFNWMORQ-UHFFFAOYSA-N14-aza-7-oxadispiro[4.2.5.1]tetradecane6-aza-13-oxadispiro[4.1.5.2]tetradecane
Database identifiers
- CAS
134656-18-1- PubChem CID
- 18316205
- DTXSID
DTXSID30592741
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 312.6 · 312.6±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 8.86 · 8.86±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
5 records
Compound notes
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