Basic information
- CAS
408338-50-1- Standard SMILES
CCOc1ccc(OCC)nc1- InChIKey
CEAFWVOLIUXDQV-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 2,5-Diethoxypyridine
- IUPAC
- 2,5-diethoxypyridine
- English name
- Pyridine, 2,5-diethoxy- (9CI)
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
2,5-diethoxypyridine408338-50-1Pyridine, 2,5-diethoxy-Pyridine, 2,5-diethoxy- (9CI)SCHEMBL3822379SCHEMBL29658840DTXSID50428391DB-2892222,5-Diethoxy-pyridine
Database identifiers
- CAS
408338-50-1- PubChem CID
- 7204869
- DTXSID
DTXSID50428391
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 215 · 215-217 °C
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 1 · 1.00±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海启智医药科技有限公司021-54849683 13601642561 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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