Propanedinitrile, 2-[[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Basic information
- CAS
6684-20-4- Standard SMILES
CCN(CCOC(=O)c1ccccc1)c1ccc(C=C(C#N)C#N)c(C)c1- InChIKey
WKTUAHDEZZJAIH-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.16337692
Names & identifiers
- Preferred name
- Propanedinitrile, 2-[[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
- IUPAC
- 2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate
- English name
- 2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl benzoate
- Molecular formula
- C22H21N3O2
- Molecular weight
- 359.42104
Names & synonyms
Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-EINECS 229-727-3DTXSID1064453beta,beta-Dicyano-2-methyl-4-(N-ethyl-N-(2-benzoyloxyethyl)amino)styrenePropanedinitrile, ((4-((2-(benzoyloxy)ethyl)ethylamino)-2-methylphenyl)methylene)-Propanedinitrile, 2-((4-((2-(benzoyloxy)ethyl)ethylamino)-2-methylphenyl)methylene)-Propanedinitrile, 2-[[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-RefChem:868897DTXCID70448476684-20-42-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl benzoate2-((4-(2,2-Dicyanovinyl)-3-methylphenyl)ethylamino)ethyl benzoate
Show more names
Disperse Yellow 90C.I.Disperse Yellow 90:C.I.48007Benzoic acid 2-[ethyl[4-(2,2-dicyanovinyl)-3-methylphenyl]amino]ethyl ester
2-[[4-(2,2-DICYANOVINYL)-3-METHYLPHENYL]ETHYLAMINO]ETHYL BENZOATENF9RSM79TPWKTUAHDEZZJAIH-UHFFFAOYSA-NNS000213232-{[4-(2,2-Dicyanoethen-1-yl)-3-methylphenyl](ethyl)amino}ethyl benzoate2-[[4-[[2-(Benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrileMalononitrile, [4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzylidene]-, benzoate
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 559.4 · 559.4±50.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 1.75 · 1.75±0.50(Predicted)
- EPA Substance Registry System
- 4 · Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]- (6684-20-4)
- 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: Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
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 InformationPropanedinitrile, 2-[[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-: INACTIVE
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Related reactions
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Compound notes
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