Basic information
- CAS
2243-89-2- Standard SMILES
Cc1ccc2nc(C)cc(C)c2c1- InChIKey
ZXGXGZGKWSUMJK-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2,4,6-Trimethylquinoline
- IUPAC
- 2,4,6-trimethylquinoline
- English name
- 2,4,6-TRIMETHYLQUINOLINE
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
2,4,6-Trimethylquinoline2243-89-2Quinoline, 2,4,6-trimethyl-UNII-2HX43GP9TU2HX43GP9TUEINECS 218-823-0DTXSID50176961RefChem:82157DTXCID9099452218-823-0ZXGXGZGKWSUMJK-UHFFFAOYSA-NF2124-0970
Show more names
Trimethylquinoline
2,4,6-Trimethylquinoline #orb3031624SCHEMBL3531515SCHEMBL3969696SCHEMBL28308090HMS1661P09Fr12135SMSSF-0045226
Database identifiers
- CAS
2243-89-2- PubChem CID
- 75247
- DTXSID
DTXSID50176961- UNII
- 2HX43GP9TU
- EC Number
- 218-823-0
- Nikkaji
- J134.634B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 68 °C · 68°C
- Boiling point
- 281.55 °C · 281.55°C
- Density
- 1.042 · 1.0420 (estimate)
- refractive index
- 1.606 · 1.6060 (estimate)
- pka
- 6.68 · 6.68±0.50(Predicted)
- FDA UNII
- 2 HX43GP9TU · 2HX43GP9TU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
苏州启航生物科技有限公司18151111370 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
3 records
Compound notes
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