Basic information
- CAS
63467-16-3- Standard SMILES
Cc1cc(N(CCC#N)C(C)N2C(=O)CCC2=O)ccc1N=Nc1ccc([N+](=O)[O-])cc1- InChIKey
ZESHOMYLYNAZBH-UHFFFAOYSA-N- Molecular formula
- C22H22N6O4
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.1702532
Names & identifiers
- Preferred name
- Propanenitrile, 3-[[1-(2,5-dioxo-1-pyrrolidinyl)ethyl][3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
- IUPAC
- 3-[N-[1-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
- English name
- 3-[[1-(2,5-dioxopyrrolidin-1-yl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
- Molecular formula
- C22H22N6O4
- Molecular weight
- 434.45
Names & synonyms
DTXSID00886604Propanenitrile, 3-((1-(2,5-dioxo-1-pyrrolidinyl)ethyl)(3-methyl-4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-[[1-(2,5-dioxo-1-pyrrolidinyl)ethyl][3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-RefChem:869102DTXCID00102592863467-16-33-[[1-(2,5-Dioxopyrrolidin-1-yl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile3-((1-(2,5-Dioxopyrrolidin-1-yl)ethyl)(3-methyl-4-((4-nitrophenyl)azo)phenyl)amino)propiononitrilePropanenitrile, 3-((1-(2,5-dioxo-1-pyrrolidinyl)ethyl)(3-methyl-4-((4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-[[1-(2,5-dioxo-1-pyrrolidinyl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]-EINECS 264-228-4ZESHOMYLYNAZBH-UHFFFAOYSA-N
Show more names
DB-217872NS000561873-([1-(2,5-Dioxopyrrolidin-1-yl)ethyl]{3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl}amino)propanenitrile
Database identifiers
- CAS
63467-16-3- PubChem CID
- 112673
- DTXSID
DTXSID00886604- EC Number
- 264-228-4
- Nikkaji
- J349.222B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Boiling point
- 709.8 · 709.8±60.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.07 · 0.07±0.50(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[1-(2,5-dioxo-1-pyrrolidinyl)ethyl][3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]- (63467-16-3)
- 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 InformationPropanenitrile, 3-[[1-(2,5-dioxo-1-pyrrolidinyl)ethyl][3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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