Basic information
- CAS
10318-23-7- Standard SMILES
CN(C)c1ccc(N=Nc2cccc3c[n+]([O-])ccc23)cc1- InChIKey
XCAJXZHVJXKEIC-UHFFFAOYSA-N- Molecular formula
- C17H16N4O
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13241115
Names & identifiers
- Preferred name
- 5-((p-(Dimethylamino)phenyl)azo)isoquinoline 2-oxide
- IUPAC
- N,N-dimethyl-4-[(2-oxidoisoquinolin-2-ium-5-yl)diazenyl]aniline
- English name
- 5-[[p-(Dimethylamino)phenyl]azo]isoquinoline 2-oxide
- Molecular formula
- C17H16N4O
- Molecular weight
- 292.34
Names & synonyms
10318-23-75-((p-(Dimethylamino)phenyl)azo)isoquinoline 2-oxide5-[[p-(Dimethylamino)phenyl]azo]isoquinoline 2-oxideN,N-Dimethyl-4-(5'-isoquinolyl-2'-oxide)azoanilineN,N-dimethyl-4-[(2-oxidoisoquinolin-2-ium-5-yl)diazenyl]anilineISOQUINOLINE, 5-((p-(DIMETHYLAMINO)PHENYL)AZO)-, 2-OXIDEN,N-Dimethyl-4-(2-oxidoisoquinolin-2-ium-5-yl)diazenylanilineBenzenamine, N,N-dimethyl-4-[2-(2-oxido-5-isoquinolinyl)diazenyl]-
Database identifiers
- CAS
10318-23-7- PubChem CID
- 25151
- DTXSID
DTXSID601040954- Nikkaji
- J41.126D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 434.27 °C · 434.27°C (rough estimate)
- Density
- 1.1002 · 1.1002 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 3.28 · 3.28±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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