Basic information
- CAS
32959-58-3- Standard SMILES
CCN(CC)CCOc1ccccc1-c1nc2ccccc2o1- InChIKey
XTBXCUINWTYKRX-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- Benzoxazole, 2-(o-(2-diethylaminoethoxy)phenyl)-
- IUPAC
- 2-[2-(1,3-benzoxazol-2-yl)phenoxy]-N,N-diethylethanamine
- English name
- 2-[o-[2-(Diethylamino)ethoxy]phenyl]benzoxazole
- Molecular formula
- C19H22N2O2
- Molecular weight
- 310.39
Names & synonyms
32959-58-3BENZOXAZOLE, 2-(o-(2-DIETHYLAMINOETHOXY)PHENYL)-R.522BRN 11427912-(o-(2-Diethylaminoethoxy)phenyl)benzoxazoleDTXSID30186609RefChem:328260DTXCID201091002-[2-(1,3-benzoxazol-2-yl)phenoxy]-N,N-diethylethanamine2-[o-[2-(Diethylamino)ethoxy]phenyl]benzoxazole2-[2-(1,3-Benzoxazol-2-yl)phenoxy]-N,N-diethylethan-1-amineEthanamine, 2-[2-(2-benzoxazolyl)phenoxy]-N,N-diethyl-
Database identifiers
- CAS
32959-58-3- PubChem CID
- 36291
- DTXSID
DTXSID30186609- Nikkaji
- J41.879J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 428.8 · 428.8±30.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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