5-((4-(Dimethylamino)-o-tolyl)azo)quinoline
Basic information
- CAS
17416-21-6- Standard SMILES
Cc1cc(N(C)C)ccc1N=Nc1cccc2ncccc12- InChIKey
ITOZCFPNONFYRH-UHFFFAOYSA-N- Molecular formula
- C18H18N4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15314659
Names & identifiers
- Preferred name
- 5-((4-(Dimethylamino)-o-tolyl)azo)quinoline
- IUPAC
- N,N,3-trimethyl-4-(quinolin-5-yldiazenyl)aniline
- English name
- N,N,3-trimethyl-4-quinolin-5-yldiazenyl-aniline
- Molecular formula
- C18H18N4
- Molecular weight
- 290.36
Names & synonyms
17416-21-6N,N,3-trimethyl-4-(quinolin-5-yldiazenyl)aniline5-((4-(Dimethylamino)-o-tolyl)azo)quinoline2-Methyl-5'-(p-dimethylaminophenylazo)quinolineN,N,3-trimethyl-4-quinolin-5-yldiazenyl-anilineQuinoline, 5-((4-(dimethylamino)-o-tolyl)azo)-DTXSID601038814Benzenamine, N,N,3-trimethyl-4-[2-(5-quinolinyl)diazenyl]-5-[2-Methyl-4-(dimethylamino)phenylazo]quinoline
Database identifiers
- CAS
17416-21-6- PubChem CID
- 87106
- DTXSID
DTXSID601038814- Nikkaji
- J36.500I
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
- 381
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
- 4.163 · 4.163±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…