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Molecule
(Diethylamino)Ethyl Acrylate
CAS: 2426-54-2 · C9H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2426-54-2
- Molecular Formula
- C9H17NO2
- Molecular Mass
- 171.24 g/mol
Identifiers
CAS Registry Number
2426-54-2
SMILES
C=CC(=O)OCCN(CC)CC
InChI Key
QHVBLSNVXDSMEB-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3
Names and Synonyms
- (Diethylamino)Ethyl Acrylate Synonym
- 2-Propenoic acid, 2-(diethylamino)ethyl ester Synonym
- Acrylic acid, 2-(diethylamino)ethyl ester Synonym
- (Diethylamino)ethyl acrylate Synonym
- 2-(Diethylamino)ethyl acrylate Synonym
- β-(Diethylamino)ethyl acrylate Synonym
- 2-(N,N-Diethylamino)ethyl acrylate Synonym
- Agriflex Synonym
- (N,N-Diethylamino)ethyl acrylate Synonym
- NSC 3118 Synonym
- [2-(Acryloyloxy)ethyl]diethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.24 g/mol | CAS Common Chemistry |
| 171.23999999999998 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.4425 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCN(CC)CC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHVBLSNVXDSMEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-60 °C | CAS Common Chemistry |
| Name | (Diethylamino)ethyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 1.0574000000000001 | RDKit |
| 1.0574 | RDKit | |
| Molar Refractivity | 48.94400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 171.125928784 g/mol | RDKit |
| Boiling Point | 70 °C @ 5.0 Torr | CAS Common Chemistry |
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
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MW = 171.24 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
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