Benzaldehyde, 4-(ethyl(3-phenoxy-2-(((phenylamino)carbonyl)oxy)propyl)amino)-2-methyl-
Basic information
- CAS
32089-69-3- Standard SMILES
CCN(CC(COc1ccccc1)OC(=O)Nc1ccccc1)c1ccc(C=O)c(C)c1- InChIKey
LFDILVWKIBPEJN-UHFFFAOYSA-N- Molecular formula
- C26H28N2O4
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.20490738
Names & identifiers
- Preferred name
- Benzaldehyde, 4-(ethyl(3-phenoxy-2-(((phenylamino)carbonyl)oxy)propyl)amino)-2-methyl-
- IUPAC
- [1-(N-ethyl-4-formyl-3-methylanilino)-3-phenoxypropan-2-yl] N-phenylcarbamate
- English name
- ethyl[4-formyl-3-methylphenyl][2-hydroxy-3-phenoxypropyl]ammonium carbanilate
- Molecular formula
- C26H28N2O4
- Molecular weight
- 432.51
Names & synonyms
EINECS 250-917-7Benzaldehyde, 4-[ethyl[3-phenoxy-2-[[(phenylamino)carbonyl]oxy]propyl]amino]-2-methyl-DTXSID90885525Benzaldehyde, 4-(ethyl(3-phenoxy-2-(((phenylamino)carbonyl)oxy)propyl)amino)-2-methyl-o-Tolualdehyde, 4-(ethyl(2-hydroxy-3-phenoxypropyl)amino)-, carbanilate (ester)RefChem:561362DTXCID50102489432089-69-3ETHYL[4-FORMYL-3-METHYLPHENYL][2-HYDROXY-3-PHENOXYPROPYL]AMMONIUM CARBANILATEEthyl(4-formyl-3-methylphenyl)(2-hydroxy-3-phenoxypropyl)ammonium carbanilate1-[ethyl(4-formyl-3-methylphenyl)amino]-3-phenoxypropan-2-yl phenylcarbamateSCHEMBL11700568
Show more names
Phenylcarbamic acid 2-(N-ethyl-4-formyl-3-methylanilino)-1-(phenoxymethyl)ethyl ester
LFDILVWKIBPEJN-UHFFFAOYSA-N
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Boiling point
- 584.5 · 584.5±50.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 13.27 · 13.27±0.70(Predicted)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-[ethyl[3-phenoxy-2-[[(phenylamino)carbonyl]oxy]propyl]amino]-2-methyl- (32089-69-3)
- 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 InformationBenzaldehyde, 4-[ethyl[3-phenoxy-2-[[(phenylamino)carbonyl]oxy]propyl]amino]-2-methyl-: INACTIVE
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Related reactions
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Compound notes
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