Pyridine, 3-ethyl-2,6-dimethyl-
Basic information
- CAS
23580-52-1- Standard SMILES
CCc1ccc(C)nc1C- InChIKey
VSLXJOHTVOZTNF-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- Pyridine, 3-ethyl-2,6-dimethyl-
- IUPAC
- 3-ethyl-2,6-dimethylpyridine
- English name
- 2,6-Dimethyl-3-ethylpyridine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
3-Ethyl-2,6-dimethylpyridinePyridine, 3-ethyl-2,6-dimethyl-23580-52-12,6-Lutidine, 3-ethyl-2,6-Dimethyl-3-ethylpyridine3-Ethyl-2,6-dimethyl-pyridine692F027M4VUNII-692F027M4VSCHEMBL7573152SCHEMBL30585580DTXSID00178218VSLXJOHTVOZTNF-UHFFFAOYSA-N
Show more names
3-Ethyl-2,6-lutidine
Q27264300
Database identifiers
- CAS
23580-52-1- PubChem CID
- 90190
- DTXSID
DTXSID00178218- UNII
- 692F027M4V
- Nikkaji
- J46.547J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 31.33 °C · 31.33°C (estimate)
- Boiling point
- 203.93 °C · 203.93°C (estimate)
- Density
- 0.912 · 0.9120
- refractive index
- 1.4989 · 1.4989 (estimate)
- pka
- 7.02 · 7.02±0.10(Predicted)
- LogP
- 2.516 · 2.516 (est)
- FDA UNII
- 692 F027M4V · 692F027M4V
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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