Basic information
- CAS
73713-91-4- Standard SMILES
CCC(CC)c1nc2ccccc2o1- InChIKey
RDAXMDUCABQPMT-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- Benzoxazole, 2-(1-ethylpropyl)-
- IUPAC
- 2-pentan-3-yl-1,3-benzoxazole
- English name
- 2-(1-Ethylpropyl)benzoxazole
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
BENZOXAZOLE, 2-(1-ETHYLPROPYL)-2-(3-Pentyl)benzoxazole2-(1-Ethylpropyl)-benzoxazoleBRN 013944773713-91-4DTXSID602240284-27-00-01123 (Beilstein Handbook Reference)RefChem:328249DTXCID601465192-(PENTAN-3-YL)-1,3-BENZOXAZOLESCHEMBL100951072-(1-ethylpropyl)-1,3-benzoxazole
Show more names
2-(1-Ethylpropyl)benzoxazole2-(1-ethylpropyl)-2-benzoxazole
Database identifiers
- CAS
73713-91-4- PubChem CID
- 52286
- DTXSID
DTXSID60224028- Nikkaji
- J67.912G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 259.7 · 259.7±9.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 1.51 · 1.51±0.10(Predicted)
Chemistry & industry
Suppliers2 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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