Basic information
- CAS
83742-51-2- Standard SMILES
CCN(CCC(=O)OC)c1ccc(N=Nc2sc(N=Nc3ccccc3)cc2C#N)cc1- InChIKey
OOFPTLYIFKZTSP-UHFFFAOYSA-N- Molecular formula
- C23H22N6O2S
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- methyl 3-[4-[(3-cyano-5-phenyldiazenylthiophen-2-yl)diazenyl]-N-ethylanilino]propanoate
- IUPAC
- methyl 3-[4-[(3-cyano-5-phenyldiazenylthiophen-2-yl)diazenyl]-N-ethylanilino]propanoate
- English name
- 3-[Ethyl[4-(3-cyano-5-phenylazo-2-thienylazo)phenyl]amino]propionic acid methyl ester
- Molecular formula
- C23H22N6O2S
- Molecular weight
- 446.53
Names & synonyms
OOFPTLYIFKZTSP-UHFFFAOYSA-N3-[Ethyl[4-(3-cyano-5-phenylazo-2-thienylazo)phenyl]amino]propionic acid methyl ester
Database identifiers
- CAS
83742-51-2- Nikkaji
- J93.606E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Boiling point
- 635.997 · 635.997±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.241 · 1.241±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.186 · 2.186±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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