Back to Search
Molecule
Ethyl 3-(4-Aminophenyl)-2-Propenoate
CAS: 5048-82-8 · C11H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5048-82-8
- Molecular Formula
- C11H13NO2
- Molecular Mass
- 191.23 g/mol
Identifiers
CAS Registry Number
5048-82-8
SMILES
CCOC(=O)C=Cc1ccc(N)cc1
InChI Key
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
Names and Synonyms
- Ethyl 3-(4-Aminophenyl)-2-Propenoate Synonym
- 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester Synonym
- Cinnamic acid, p-amino-, ethyl ester Synonym
- Ethyl 3-(4-aminophenyl)-2-propenoate Synonym
- Ethyl p-aminocinnamate Synonym
- Ethyl 4-aminocinnamate Synonym
- 4-Aminocinnamic acid ethyl ester Synonym
- (4-(2-(Ethoxycarbonyl)ethenyl)phenyl)amine Synonym
- NSC 44439 Synonym
- Ethyl 3-(4-aminophenyl)acrylate Synonym
- 3-(4-Aminophenyl)acrylic acid ethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.23 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C=CC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NRPMBSHHBFFYBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73 °C | CAS Common Chemistry |
| Name | Ethyl 3-(4-aminophenyl)-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 1.8451 | RDKit |
| Molar Refractivity | 56.52140000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 191.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 191.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13NO2.
