Basic information
- CAS
73309-52-1- Standard SMILES
CC(C)C(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
GNYGWUKVNULGTI-UHFFFAOYSA-N- Molecular formula
- C22H22N6O4
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.1702532
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl 2-methylpropanoate
- English name
- 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate
- Molecular formula
- C22H22N6O4
- Molecular weight
- 434.45
Names & synonyms
EINECS 277-379-6Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl esterDTXSID3072743Propanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethyl esterPropanoic acid, 2-methyl-, 2-((2-cyanoethyl)(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)amino)ethyl ester2-((2-Cyanoethyl)(4-((2-cyano-4-nitrophenyl)azo)phenyl)amino)ethylisobutyratePropanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterRefChem:869295DTXCID104752073309-52-1GNYGWUKVNULGTI-UHFFFAOYSA-NNS00037499
Show more names
2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate2-Methylpropanoic acid 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
2-[(2-Cyanoethyl){4-[(2-cyano-4-nitrophenyl)diazenyl]phenyl}amino]ethyl 2-methylpropanoate
Database identifiers
- CAS
73309-52-1- PubChem CID
- 175459
- DTXSID
DTXSID3072743- EC Number
- 277-379-6
- Nikkaji
- J309.276C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 753
Physicochemical properties
- EPA Substance Registry System
- 2 · Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester (73309-52-1)
- 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.
Hazard information
Regulatory InformationChemical: Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-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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