Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
Basic information
- CAS
25047-90-9- Standard SMILES
N#CCCN(CCOC(=O)c1ccccc1)c1ccccc1- InChIKey
UJTRMFNKHYGXDI-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
- IUPAC
- 2-[N-(2-cyanoethyl)anilino]ethyl benzoate
- English name
- 3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-EINECS 246-581-6DTXSID6067044Propanenitrile, 3-((2-(benzoyloxy)ethyl)phenylamino)-RefChem:374529DTXCID803720325047-90-93-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile2-[(2-cyanoethyl)(phenyl)amino]ethyl benzoate2-[N-(2-cyanoethyl)anilino]ethyl benzoate3-((2-(benzoyloxy)ethyl)phenylamino)propanonitrileSCHEMBL7512736
Show more names
N-CYANOETHYL-N-BENZOXYETHYL ANILINEN-CYANOETHYL-N-BENZYLOXYETHYL ANILINEN-CYANO-N-BENZANILIDEOXYETHYL ANILINE2-((2-cyanoethyl)(phenyl)amino)ethyl benzoate3-[[2-(benzoyloxy)ethyl]phenylamino]propiononitrileBenzoic acid 2-[N-(2-cyanoethyl)anilino]ethyl ester3-((2-(Benzyloxy)ethyl)(phenyl)amino)propanenitrile
UJTRMFNKHYGXDI-UHFFFAOYSA-NNS00027798
Database identifiers
- CAS
25047-90-9- PubChem CID
- 90695
- DTXSID
DTXSID6067044- EC Number
- 246-581-6
- Nikkaji
- J31.495A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 482.4 · 482.4±30.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.50(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- (25047-90-9)
- 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-[[2-(benzoyloxy)ethyl]phenylamino]-: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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