chempirical

Ethyl 4-(diethylamino)benzoate

C13H19NO2CAS 10287-54-4221.30 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C13H19NO2
Molar mass
221.30 g/mol
Exact mass
221.1416 Da
Melting point
43 °C
Boiling point
132–138 °C (at 1.2 Torr)
logP
2.71Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10287-54-4
SMILES
CCOC(=O)c1ccc(N(CC)CC)cc1
InChIKey
XPKFLEVLLPKCIW-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO2/c1-4-14(5-2)12-9-7-11(8-10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3

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Names and synonyms

6 names
  • Benzoic acid, 4-(diethylamino)-, ethyl ester
  • Benzoic acid, p-(diethylamino)-, ethyl ester
  • Ethyl p-(diethylamino)benzoate
  • Ethyl p-(N,N-diethylamino)benzoate
  • p-(Diethylamino)benzoic acid ethyl ester
  • NSC 147493

Work with Ethyl 4-(diethylamino)benzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl terephthalate636-09-970 % similar Ethyl 4-(dimethylamino)benzoate10287-53-369 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-664 % similar Ethyl 4-chlorobenzoate7335-27-563 % similar Ethyl 4-methylbenzoate94-08-660 % similar Ethyl 4-chloromethylbenzoate1201-90-759 % similar 4,4'-Bis(diethylamino)benzophenone90-93-759 % similar Ethyl benzoate93-89-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone197145-37-2 D-4-tert-Butyl-phe274262-82-7 Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one71556-70-2 p-tert-Butylphenylalanine82372-74-5 Ethyl 4-(butylamino)benzoate94-32-6

Elsewhere

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