Basic information
- CAS
2243-90-5- Standard SMILES
Cc1cc(C)c2nc(C)ccc2c1- InChIKey
TYDCAWVQILIWGV-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2,6,8-Trimethylquinoline
- IUPAC
- 2,6,8-trimethylquinoline
- English name
- 2,6,8-trimethylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
2,6,8-Trimethylquinoline2243-90-5Quinoline, 2,6,8-trimethyl-EINECS 218-824-6UNII-CA08528K92CA08528K92DTXSID10176962RefChem:83062DTXCID4099453218-824-6TYDCAWVQILIWGV-UHFFFAOYSA-NMFCD09787539
Show more names
2,6,8-Trimethyl-chinolinSCHEMBL11804743SCHEMBL31186679AKOS006280781AB51628CS-0336349NS00027181D80121
Database identifiers
- CAS
2243-90-5- PubChem CID
- 75248
- DTXSID
DTXSID10176962- UNII
- CA08528K92
- EC Number
- 218-824-6
- Nikkaji
- J134.633D
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
- 45.9 °C · 45.9°C
- Boiling point
- 259.85 °C · 259.85°C
- Density
- 0.9776 · 0.9776 (rough estimate)
- refractive index
- 1.623 · 1.6230 (estimate)
- pka
- 6.07 · 6.07±0.50(Predicted)
- FDA UNII
- 8528 K92 · CA08528K92
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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