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NSC 20952
CAS: 2439-35-2 | C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2439-35-2
Molecular Formula:
C7H13NO2
Molecular Weight:
143.18599999999998 g/mol
Names and Synonyms:
NSC 20952
Dimethylaminoethyl Acrylate
[2-(Acryloyloxy)ethyl]dimethylamine
2-Propenoic acid, 2-(dimethylamino)ethyl ester
Acrylic acid, 2-(dimethylamino)ethyl ester
Dimethylaminoethyl acrylate
2-(Dimethylamino)ethyl acrylate
N,N-Dimethylaminoethyl acrylate
DMAEA
Acryloyloxyethyldimethylamine
Norsocryl ADAME
ADAME
Aron DA
2-(Dimethylamino)ethyl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OCCN(C)C
InChI:
InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.19 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylaminoethyl_acrylate None | Legacy Database |
| cas-boiling-point | 59.5-61.5 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCCN(C)C)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DPBJAVGHACCNRL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Dimethylaminoethyl acrylate None | Legacy Database |
| wikipedia-name | Dimethylaminoethyl acrylate None | Legacy Database |
| LogP | 0.2771999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.18599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.54 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.71000000000001 | RDKit |
