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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
Identifiers
CAS Registry Number
10287-53-3
SMILES
CCOC(=O)c1ccc(N(C)C)cc1
InChI Key
FZUGPQWGEGAKET-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
Names and Synonyms
- Ethyl 4-(Dimethylamino)Benzoate Common Name
- Benzoic acid, 4-(dimethylamino)-, ethyl ester Synonym
- Benzoic acid, p-(dimethylamino)-, ethyl ester Synonym
- Ethyl p-(dimethylamino)benzoate Synonym
- Parbenate Synonym
- N,N-Dimethylbenzocaine Synonym
- Ethyl 4-(dimethylamino)benzoate Synonym
- Quantacure EPD Synonym
- Kayacure EPA Synonym
- Ethyl 4-(N,N-dimethylamino)benzoate Synonym
- Ethyl p-(N,N-dimethylamino)benzoate Synonym
- p-(Ethoxycarbonyl)-N,N-dimethylaniline Synonym
- Ethyl N,N-dimethylamino-p-benzoate Synonym
- 4-Dimethylaminobenzoic acid ethyl ester Synonym
- EDMAB Synonym
- 4-Ethoxycarbonyl-N,N-dimethylaniline Synonym
- Speedcure EDB Synonym
- Darocur EDB Synonym
- Genocure EPD Synonym
- Darocur EBD Synonym
- π-EDB Synonym
- PI-EDB Synonym
- SB-PI 704 Synonym
- Luna EDB Synonym
- IHT-PI EDB Synonym
- EPD Synonym
- EDAB Synonym
- Photoinitiator EDAB Synonym
- Lunacure EDB Synonym
- JRCure 1101 Synonym
- EDB Synonym
- Omnirad EDB Synonym
- Irgacure EDB Synonym
- Photoinitiator EDB Synonym
- Gencure EDB Synonym
- D 1744 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.25 g/mol | CAS Common Chemistry |
| 193.24599999999998 g/mol | RDKit | |
| 193.246 g/mol | RDKit | |
| 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 |
| 29.31 Ų | chempirical lib | |
| LogP | 1.9293 | RDKit |
| 1.98 | chempirical lib | |
| Molar Refractivity | 56.72550000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 193.11027872 g/mol | RDKit |
| Boiling Point | 125-142 °C @ 1-2 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
Related
Related molecules
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1-Methylethyl 3-Amino-4-Methylbenzoate
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Benzoic acid, 2-(dimethylamino)ethyl ester
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