1-Oxa-9-azaspiro[5.5]undecane
Basic information
- CAS
42578-08-5- Standard SMILES
C1CCC2(CCNCC2)OC1- InChIKey
XYKVTIPFANKIPK-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 1-Oxa-9-azaspiro[5.5]undecane
- IUPAC
- 1-oxa-9-azaspiro[5.5]undecane
- English name
- 1-oxa-9-azaspiro[5.5]undecane
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
1-oxa-9-azaspiro[5.5]undecane42578-08-51-Oxa-9-aza-spiro[5.5]undecaneSCHEMBL2236109SCHEMBL16012878SCHEMBL16035833DTXSID80629278ALBB-037476AKOS006336208SB37161DB-070316CS-0377030
Show more names
EN300-374238F13280F1908-1400
Database identifiers
- CAS
42578-08-5- PubChem CID
- 22975593
- DTXSID
DTXSID80629278
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 250 ℃ · 250℃
- Density
- 1 · 1.00
- Flash point
- 96 ℃ · 96℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.51 · 10.51±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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