chempirical

Ethyl 3-(4-aminophenyl)-2-propenoate

C11H13NO2CAS 5048-82-8191.23 g/mol

Open in Covalent MOL file
OONH2
AlkeneEsterPrimary amine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Melting point
73 °C
logP
1.85Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
5048-82-8
SMILES
CCOC(=O)C=Cc1ccc(N)cc1
InChIKey
NRPMBSHHBFFYBF-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3

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Names and synonyms

9 names
  • 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester
  • Cinnamic acid, p-amino-, ethyl ester
  • Ethyl p-aminocinnamate
  • Ethyl 4-aminocinnamate
  • 4-Aminocinnamic acid ethyl ester
  • (4-(2-(Ethoxycarbonyl)ethenyl)phenyl)amine
  • NSC 44439
  • Ethyl 3-(4-aminophenyl)acrylate
  • 3-(4-Aminophenyl)acrylic acid ethyl ester

Work with Ethyl 3-(4-aminophenyl)-2-propenoate

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

Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-070 % similar Ethyl cinnamate103-36-669 % similar Ethyl (E)-4-methoxycinnamate24393-56-467 % similar Ethyl 3-(4-nitrophenyl)-2-propenoate953-26-460 % similar Ethyl caffeate102-37-460 % similar Ethyl ferulate4046-02-053 % similar Diethyl maleate141-05-952 % similar Diethyl fumarate623-91-652 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-1 3-(4-Morpholinyl)benzaldehyde446866-87-1

Elsewhere

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