Basic information
- CAS
17416-18-1- Standard SMILES
Cc1ccc2c(N=Nc3ccc(N(C)C)cc3)cccc2n1- InChIKey
OBNGYXDBTDNGBM-UHFFFAOYSA-N- Molecular formula
- C18H18N4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15314659
Names & identifiers
- Preferred name
- 5-((p-(Dimethylamino)phenyl)azo)quinaldine
- IUPAC
- N,N-dimethyl-4-[(2-methylquinolin-5-yl)diazenyl]aniline
- English name
- 2-Methyl-5-(4-dimethylaminophenylazo)quinoline
- Molecular formula
- C18H18N4
- Molecular weight
- 290.36
Names & synonyms
17416-18-12'-Methyl-5'-(p-dimethylaminophenylazo)quinolineQuinaldine, 5-((p-(dimethylamino)phenyl)azo)-Quinaldine, 5-[[p-(dimethylamino)phenyl]azo]-5-((p-(Dimethylamino)phenyl)azo)quinaldineNSC 170679N,N-dimethyl-4-[(2-methylquinolin-5-yl)diazenyl]aniline2-Methyl-5-(4-dimethylaminophenylazo)quinolineNSC170679Quinoline, 5-((p-(dimethylamino)phenyl)azo)-2-methyl-Benzenamine, N,N-dimethyl-4-((2-methyl-5-quinolinyl)azo)-NSC-170679
Show more names
Benzenamine,N-dimethyl-4-[(2-methyl-5-quinolinyl)azo]-
Database identifiers
- CAS
17416-18-1- PubChem CID
- 87104
- Nikkaji
- J36.505J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 422.45 °C · 422.45°C (rough estimate)
- Density
- 1.0887 · 1.0887 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 4.854 · 4.854±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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