Basic information
- CAS
26535-24-0- Standard SMILES
CCCCB1NC(C)C(c2ccccc2)O1- InChIKey
LXWVPXKWXLRFRF-UHFFFAOYSA-N- Molecular formula
- C13H20BNO
- Average molar mass
- 217.12 g/mol
- Monoisotopic mass
- 217.1637944
Names & identifiers
- Preferred name
- 2-Butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine
- IUPAC
- 2-butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine
- English name
- 2-Butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine
- Molecular formula
- C13H20BNO
- Molecular weight
- 217.12
Names & synonyms
2-Butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine26535-24-0DTXSID50346006RefChem:258040DTXCID002970791,3,2-Oxazaborolidine, 2-butyl-4-methyl-5-phenyl-CHEMBL310861SCHEMBL5076883LXWVPXKWXLRFRF-UHFFFAOYSA-N2-Butyl-4-methyl-5-phenyl-1,3,2-oxazaborolidine #
Database identifiers
- CAS
26535-24-0- PubChem CID
- 608698
- DTXSID
DTXSID50346006- ChEMBL
CHEMBL310861- Nikkaji
- J105.375B
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 293.2 · 293.2±43.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 3.17 · 3.17±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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