Basic information
- CAS
3999-78-8- Standard SMILES
CCc1cncc(C)c1- InChIKey
XTLUAAHBKVFNPF-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- Pyridine, 3-ethyl-5-methyl-
- IUPAC
- 3-ethyl-5-methylpyridine
- English name
- 3-Ethyl-5-methylpyridine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
3-ETHYL-5-METHYLPYRIDINE3999-78-8Pyridine, 3-ethyl-5-methyl-3Z2M4USF3YDTXSID40193046RefChem:1097298DTXCID501155373-ethyl-5-methyl-pyridine3-Methyl-5-ethylpyridine3-Picoline, 5-ethyl-UNII-3Z2M4USF3Y5-Ethyl-3-picoline
Show more names
3-Ethyl-5-methylpyridine #SCHEMBL2177927SCHEMBL2178462SCHEMBL4783955SCHEMBL4925904SCHEMBL6982996SCHEMBL25401092SCHEMBL30768308
Database identifiers
- CAS
3999-78-8- PubChem CID
- 19901
- DTXSID
DTXSID40193046- UNII
- 3Z2M4USF3Y
- Nikkaji
- J45.581D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 220 °C · 220 °C(Press: 700 Torr)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- Flash point
- 66 ° · 66°
- pka
- 5.87 · 5.87±0.20(Predicted)
- FDA UNII
- 3 Z2M4USF3Y · 3Z2M4USF3Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P235-P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H302-H315-H319-H335
- Precautionary statements
- P210-P233-P235-P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海垚翀化工科技有限公司13390851206
Related reactions
1 records
Compound notes
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