Basic information
- CAS
73013-77-1- Standard SMILES
N#CCCN(CCOc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
DRTTUVOUBWLRPF-UHFFFAOYSA-N- Molecular formula
- C24H20N6O3
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.15968852
Names & identifiers
- Preferred name
- 2-((4-((2-Cyanoethyl)(2-phenoxyethyl)amino)phenyl)azo)-5-nitrobenzonitrile
- IUPAC
- 2-[[4-[2-cyanoethyl(2-phenoxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
- English name
- 2-[[4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile
- Molecular formula
- C24H20N6O3
- Molecular weight
- 440.45
Names & synonyms
73013-77-1EINECS 277-216-92-((4-((2-Cyanoethyl)(2-phenoxyethyl)amino)phenyl)azo)-5-nitrobenzonitrileDRTTUVOUBWLRPF-UHFFFAOYSA-NDTXSID501132467NS000586302-({4-[(2-Cyanoethyl)(2-phenoxyethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile2-[2-[4-[(2-Cyanoethyl)(2-phenoxyethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile2-[[4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile2-[[4-[(2-cyanoethyl)(2-pheoxyethyl) amino]phenyl]azo]-5-nitro-Benzonitrile2-[p-[N-(2-Cyanoethyl)-N-(2-phenoxyethyl)amino]phenylazo]-5-nitrobenzonitrile2-[4-[N-(2-Cyanoethyl)-N-(2-phenoxyethyl)amino]phenylazo]-5-nitrobenzonitrile
Database identifiers
- CAS
73013-77-1- PubChem CID
- 3018395
- DTXSID
DTXSID501132467- EC Number
- 277-216-9
- Nikkaji
- J30.030F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 703.869 · 703.869±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.228 · 1.228±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.35 · 1.350±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…