1-Methyl-5-phenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octane
Basic information
- CAS
66035-56-1- Standard SMILES
C[N+]12CCO[B-]1(c1ccccc1)OCC2- InChIKey
WRINNDLKTUMKOX-UHFFFAOYSA-N- Molecular formula
- C11H16BNO2
- Average molar mass
- 205.06 g/mol
- Monoisotopic mass
- 205.1274089
Names & identifiers
- Preferred name
- 1-Methyl-5-phenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octane
- IUPAC
- 5-methyl-1-phenyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane
Names & synonyms
66035-56-1NSC3680071-methyl-5-phenyl-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octaneDTXSID50331114NSC-368007N-Methyl-2-phenyl-1,3,6,2-perhydro-dioxazaborocin[2,2'-(Methylazanediyl-kappaN)di(ethan-1-olato-kappaO)]phenylboron
Database identifiers
- CAS
66035-56-1- PubChem CID
- 435343
- DTXSID
DTXSID50331114
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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