Basic information
- CAS
72269-55-7- Standard SMILES
N#CCCN(CCOC(=O)COc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
VIRORHJDLRRCJG-UHFFFAOYSA-N- Molecular formula
- C25H23N5O5
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.16991885
Names & identifiers
- Preferred name
- Acetic acid, 2-phenoxy-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate
- English name
- 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate
- Molecular formula
- C25H23N5O5
- Molecular weight
- 473.48
Names & synonyms
EINECS 276-554-4Acetic acid, phenoxy-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl esterAcetic acid, phenoxy-, 2-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl esterAcetic acid, 2-phenoxy-, 2-((2-cyanoethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)ethyl esterAcetic acid, 2-phenoxy-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterRefChem:55217372269-55-7DTXSID1072555VIRORHJDLRRCJG-UHFFFAOYSA-N2-((2-Cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl phenoxyacetateNS000373542-[(2-Cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl phenoxyacetate
Show more names
2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetatePhenoxyacetic acid 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 726
Physicochemical properties
- Boiling point
- 691.412 · 691.412±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
- 0.896 · 0.896±0.50(predicted)
- EPA Substance Registry System
- 2 · Acetic acid, phenoxy-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester (72269-55-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-phenoxy-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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