Basic information
- CAS
42242-59-1- Standard SMILES
CN(C)c1ccc(N=Nc2ccc3occc3c2)cc1- InChIKey
MOJLCYYAIXOFSY-UHFFFAOYSA-N- Molecular formula
- C16H15N3O
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.12151211
Names & identifiers
- Preferred name
- N,N-Dimethyl-p-(5-benzofurylazo)aniline
- IUPAC
- 4-(1-benzofuran-5-yldiazenyl)-N,N-dimethylaniline
- English name
- 4-(Benzofuran-5-ylazo)-N,N-dimethylbenzenamine
- Molecular formula
- C16H15N3O
- Molecular weight
- 265.31
Names & synonyms
42242-59-1N,N-Dimethyl-p-(5-benzofurylazo)anilinep-(5-Benzofurylazo)-N,N-dimethylanilineANILINE, p-(5-BENZOFURYLAZO)-N,N-DIMETHYL-4-(Benzofuran-5-ylazo)-N,N-dimethylbenzenamineDTXSID401039428Benzenamine, 4-[2-(5-benzofuranyl)diazenyl]-N,N-dimethyl-
Database identifiers
- CAS
42242-59-1- PubChem CID
- 39165
- DTXSID
DTXSID401039428- Nikkaji
- J33.758G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 408.53 °C · 408.53°C (rough estimate)
- Density
- 1.0944 · 1.0944 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 3.286 · 3.286±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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