Basic information
- CAS
18441-61-7- Standard SMILES
Cc1cc(C)c2cccc(C)c2n1- InChIKey
UAPYNUQREMCVSV-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2,4,8-Trimethylquinoline
- IUPAC
- 2,4,8-trimethylquinoline
- English name
- 2,4,8-Trimethylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
2,4,8-Trimethylquinoline18441-61-7EINECS 242-322-6Quinoline, 2,4,8-trimethyl-UNII-KEH3I9HX4RKEH3I9HX4R4,8-DIMETHYLQUINALDINEDTXSID70171574RefChem:82205DTXCID6094065242-322-6MFCD00272331
Show more names
Quinoline,2,4,8-trimethyl-2,4,8-Trimethyl-chinolinSCHEMBL8966258UAPYNUQREMCVSV-UHFFFAOYSA-NSTK667522AKOS003234892AB05600NCGC00342927-01
Database identifiers
- CAS
18441-61-7- PubChem CID
- 87645
- DTXSID
DTXSID70171574- UNII
- KEH3I9HX4R
- EC Number
- 242-322-6
- Nikkaji
- J266.179I
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
- 42 °C · 42 °C
- Boiling point
- 269 · 269-270 °C
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 6.5 · 6.50±0.50(Predicted)
- FDA UNII
- 3 I9HX4R · KEH3I9HX4R
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
Chemistry & industry
Suppliers5 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…