3-((4-(2-(2-Chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)propanenitrile
Basic information
- CAS
63467-27-6- Standard SMILES
N#CCCN(CCN1C(=O)CCC1=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
FBLHEZYMEKQUQD-UHFFFAOYSA-N- Molecular formula
- C21H19ClN6O4
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1156308
Names & identifiers
- Preferred name
- 3-((4-(2-(2-Chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)propanenitrile
- IUPAC
- 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]anilino]propanenitrile
- English name
- 3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]propanenitrile
- Molecular formula
- C21H19ClN6O4
- Molecular weight
- 454.87
Names & synonyms
63467-27-63-((4-(2-(2-Chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)propanenitrile3-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]propanenitrileRefChem:272945Propanenitrile, 3-((4-((2-chloro-4-nitrophenyl)azo)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-DTXSID6069876FBLHEZYMEKQUQD-UHFFFAOYSA-NPCA10678Propanenitrile, 3-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)(2-(2,5-dioxo-1-pyrrolidinyl)ethyl)amino)-3-({4-[(2-Chloro-4-nitrophenyl)diazenyl]phenyl}[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino)propanenitrile3-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]propanenitrile
Show more names
Propanenitrile, 3-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Boiling point
- 730.1 · 730.1±60.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 1.21 · 1.21±0.50(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]- (63467-27-6)
- 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-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl][2-(2,5-dioxo-1-pyrrolidinyl)ethyl]amino]-: INACTIVE
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Related reactions
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Compound notes
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