N-dodecylmonoaza-15-crown-5-N-oxide
Basic information
- CAS
129117-50-6- Standard SMILES
CCCCCCCCCCCC[N+]1([O-])CCOCCOCCOCCOCC1- InChIKey
BNHTVBBNSUAPFY-UHFFFAOYSA-N- Molecular formula
- C22H45NO5
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.32977354
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-dodecylmonoaza-15-crown-5-N-oxide
- IUPAC
- 13-dodecyl-13-oxido-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
- English name
- N-dodecylmonoaza-15-crown-5-N-oxide
- Molecular formula
- C22H45NO5
- Molecular weight
- 403.6
Names & synonyms
N-Dodecylmonoaza-15-crown-5-N-oxide129117-50-6DTXSID20156073RefChem:163278DTXCID2078564Dma-15-cno13-Dodecyl-1,4,7,10-tetraoxa-13-azacyclopentadecane 13-oxide1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-dodecyl-, 13-oxide13-Dodecyl-13-oxo-1,4,7,10-tetraoxa-13lambda~5~-azacyclopentadecane
Database identifiers
- CAS
129117-50-6- PubChem CID
- 131065
- DTXSID
DTXSID20156073
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- pka
- 4.92 · 4.92±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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