Basic information
- CAS
40941-54-6- Standard SMILES
Cc1ccc2c(C)ccnc2c1- InChIKey
LOMBYWOEYMBBGZ-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914935
Names & identifiers
- Preferred name
- 4,7-Dimethylquinoline
- IUPAC
- 4,7-dimethylquinoline
- English name
- 4,7-dimethylquinoline
- Molecular formula
- C11H11N
- Molecular weight
- 157.21
Names & synonyms
4,7-Dimethylquinoline40941-54-6Quinoline, 4,7-dimethyl-7HZT8WXU3EEINECS 255-148-0UNII-7HZT8WXU3EDTXSID40193940RefChem:96743DTXCID80116431255-148-04,7-Dimethyl-chinolin7-Methyl-4-methyl-quinoline
Show more names
SCHEMBL873159CHEMBL1898153SCHEMBL22116596AKOS006372716NCGC00188130-01NS00030882AT-051/43422780
Database identifiers
- CAS
40941-54-6- PubChem CID
- 123499
- DTXSID
DTXSID40193940- ChEMBL
CHEMBL1898153- UNII
- 7HZT8WXU3E
- EC Number
- 255-148-0
- Nikkaji
- J294.796J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 271.88 °C · 271.88°C (rough estimate)
- Density
- 1.0595 · 1.0595 (rough estimate)
- refractive index
- 1.6722 · 1.6722 (estimate)
- pka
- 6.15 · 6.15±0.27(Predicted)
- FDA UNII
- 7 HZT8WXU3E · 7HZT8WXU3E
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
1 records
Compound notes
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