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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
Names and Synonyms:
Ethyl 3-(4-Aminophenyl)-2-Propenoate
2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester
Cinnamic acid, p-amino-, ethyl ester
Ethyl 3-(4-aminophenyl)-2-propenoate
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
Identifiers:
SMILES:
CCOC(=O)C=Cc1ccc(N)cc1
InChI:
InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3
Key Properties
Melting Point
73 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.23 g/mol | CAS Common Chemistry |
| 191.094628656 g/mol | RDKit | |
| 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 | RDKit |
