Basic information
- CAS
26574-29-8- Standard SMILES
CC1C(c2ccccc2)OB(c2ccccc2)N1C- InChIKey
RHEOVNWEAAUANC-UHFFFAOYSA-N- Molecular formula
- C16H18BNO
- Average molar mass
- 251.1 g/mol
- Monoisotopic mass
- 251.1481444
Names & identifiers
- Preferred name
- 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
- IUPAC
- 3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine
- English name
- 1,3,2-Oxazaborolidine, 3,4-dimethyl-2,5-diphenyl-
- Molecular formula
- C16H18BNO
- Molecular weight
- 251.13
Names & synonyms
3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine26574-29-8DTXSID10346986RefChem:271165DTXCID702980581,3,2-Oxazaborolidine, 3,4-dimethyl-2,5-diphenyl-CHEMBL78638SCHEMBL5075066RHEOVNWEAAUANC-UHFFFAOYSA-N3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaborolidine #
Database identifiers
- CAS
26574-29-8- PubChem CID
- 616862
- DTXSID
DTXSID10346986- ChEMBL
CHEMBL78638- Nikkaji
- J103.496K
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 343.6 · 343.6±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- -0.16 · -0.16±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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