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Ethyl (2E)-3-(Dimethylamino)-2-Propenoate
CAS: 1117-37-9 | C7H13NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1117-37-9
Molecular Formula:
C7H13NO2
Molecular Mass:
143.19 g/mol
Names and Synonyms:
Ethyl (2E)-3-(Dimethylamino)-2-Propenoate
2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-
Acrylic acid, 3-(dimethylamino)-, ethyl ester, (E)-
2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (E)-
Ethyl (2E)-3-(dimethylamino)-2-propenoate
Ethyl (E)-3-(dimethylamino)prop-2-enoate
Ethyl (2E)-3-(dimethylamino)acrylate
Ethyl (2E)-3-(dimethylamino)prop-2-enoate
(E)-Ethyl 3-(dimethylamino)acrylate
Ethyl (E)-3-(dimethylamino)prop-2-enoate
Identifiers:
SMILES:
CCOC(=O)/C=C/N(C)C
InChI:
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
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 | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.094628656 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C=CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+ | CAS Common Chemistry |
| InChI Key | InChIKey=MVUMJYQUKKUOHO-AATRIKPKSA-N | CAS Common Chemistry |
| Name | Ethyl (2E)-3-(dimethylamino)-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 0.6248 | RDKit |
| Molar Refractivity | 39.46000000000001 | RDKit |
