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Ethyl 4-(Dimethylamino)Benzoate
CAS: 10287-53-3 | C11H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10287-53-3
Molecular Formula:
C11H15NO2
Molecular Mass:
193.25 g/mol
Names and Synonyms:
Ethyl 4-(Dimethylamino)Benzoate
Benzoic acid, 4-(dimethylamino)-, ethyl ester
Benzoic acid, p-(dimethylamino)-, ethyl ester
Ethyl p-(dimethylamino)benzoate
Parbenate
N,N-Dimethylbenzocaine
Ethyl 4-(dimethylamino)benzoate
Quantacure EPD
Kayacure EPA
Ethyl 4-(N,N-dimethylamino)benzoate
Ethyl p-(N,N-dimethylamino)benzoate
p-(Ethoxycarbonyl)-N,N-dimethylaniline
Ethyl N,N-dimethylamino-p-benzoate
4-Dimethylaminobenzoic acid ethyl ester
EDMAB
4-Ethoxycarbonyl-N,N-dimethylaniline
Speedcure EDB
Darocur EDB
Genocure EPD
Darocur EBD
π-EDB
PI-EDB
SB-PI 704
Luna EDB
IHT-PI EDB
EPD
EDAB
Photoinitiator EDAB
Lunacure EDB
JRCure 1101
EDB
Omnirad EDB
Irgacure EDB
Photoinitiator EDB
Gencure EDB
D 1744
Identifiers:
SMILES:
CCOC(=O)c1ccc(N(C)C)cc1
InChI:
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
Key Properties
Boiling Point
125-142 °C @ Press: 1-2 Torr
CAS Common Chemistry
Melting Point
65-66 °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 | 193.25 g/mol | CAS Common Chemistry |
| 193.24599999999998 g/mol | RDKit | |
| 193.11027872 g/mol | RDKit | |
| Boiling Point | 125-142 °C @ Press: 1-2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FZUGPQWGEGAKET-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C | CAS Common Chemistry |
| Name | Ethyl 4-(dimethylamino)benzoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 1.9293 | RDKit |
| Molar Refractivity | 56.72550000000004 | RDKit |
