Basic information
- CAS
19471-28-4- Standard SMILES
Cc1cc(N(C)C)ccc1N=Nc1cc[n+]([O-])cc1C- InChIKey
CYFJOEDEKQPMBL-UHFFFAOYSA-N- Molecular formula
- C15H18N4O
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.14806121
Names & identifiers
- Preferred name
- 4-[[4-(Dimethylamino)-o-tolyl]azo]-3-methylpyridine 1-oxide
- IUPAC
- N,N,3-trimethyl-4-[(3-methyl-1-oxidopyridin-1-ium-4-yl)diazenyl]aniline
- English name
- 4-[[4-(Dimethylamino)-o-tolyl]azo]-3-methylpyridine 1-oxide
- Molecular formula
- C15H18N4O
- Molecular weight
- 270.33
Names & synonyms
19471-28-44-[[4-(Dimethylamino)-o-tolyl]azo]-3-methylpyridine 1-oxideN,N,3-trimethyl-4-[(3-methyl-1-oxidopyridin-1-ium-4-yl)diazenyl]aniline4-[[4-(Dimethylamino)-o-tolyl]azo]-3-methylpyridine-1-oxideBenzenamine, N,N,3-trimethyl-4-[2-(3-methyl-1-oxido-4-pyridinyl)diazenyl]-
Database identifiers
- CAS
19471-28-4- PubChem CID
- 88081
- Nikkaji
- J14.762A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 413.44 °C · 413.44°C (rough estimate)
- Density
- 1.0841 · 1.0841 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 3.43 · 3.43±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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