Benzenepropanoic acid, 4-(bis(2-(benzoyloxy)ethyl)amino)-alpha,beta-dicyano-, ethyl ester
Basic information
- CAS
65151-61-3- Standard SMILES
CCOC(=O)C(C#N)C(C#N)c1ccc(N(CCOC(=O)c2ccccc2)CCOC(=O)c2ccccc2)cc1- InChIKey
RBSBTQHUNDPDQR-UHFFFAOYSA-N- Molecular formula
- C31H29N3O6
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.20563565
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 4-(bis(2-(benzoyloxy)ethyl)amino)-alpha,beta-dicyano-, ethyl ester
- IUPAC
- 2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxopropyl)anilino]ethyl benzoate
- English name
- ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanopropionate
- Molecular formula
- C31H29N3O6
- Molecular weight
- 539.57846
Names & synonyms
EINECS 265-541-9Benzenepropanoic acid, 4-(bis(2-(benzoyloxy)ethyl)amino)-alpha,beta-dicyano-, ethyl esterDTXSID60886741Benzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-.alpha.,.beta.-dicyano-, ethyl esterHydrocinnamic acid, p-(bis(2-hydroxyethyl)amino)-alpha,beta-dicyano-, ethyl ester, dibenzoate (ester)Benzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-alpha,beta-dicyano-, ethyl esterRefChem:563629DTXCID80102606365151-61-3RBSBTQHUNDPDQR-UHFFFAOYSA-NNS00055843Ethyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanopropionate
Show more names
ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanopropionate4-[Bis[2-(benzoyloxy)ethyl]amino]-α,β-dicyanobenzenepropanoic acid ethyl esterBenzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-α,β-dicyano-, ethyl ester
{[4-(1,2-Dicyano-3-ethoxy-3-oxopropyl)phenyl]azanediyl}di(ethane-2,1-diyl) dibenzoate
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 880
Physicochemical properties
- Boiling point
- 736.6 · 736.6±60.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.50(Predicted)
- EPA Substance Registry System
- 4 · Benzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-.alpha.,.beta.-dicyano-, ethyl ester (65151-61-3)
- 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 InformationBenzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-.alpha.,.beta.-dicyano-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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