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2-Ethoxybenzamide
CAS: 938-73-8 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
938-73-8
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
2-Ethoxybenzamide
Benzamide, 2-ethoxy-
Benzamide, o-ethoxy-
2-Ethoxybenzamide
Ethenzamide
Ethosalicyl
o-Ethoxybenzamide
Etosalicyl
Ethbenzamide
Lucamide
Protopyrin
Trancalgyl
Etamide
Pirosolvina
Ethenzamid
Etocil
Etosalicil
Eusal
Katagrippe
NSC 28787
Etenzamide
Identifiers:
SMILES:
CCOc1ccccc1C(=N)O
InChI:
InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
Key Properties
Melting Point
133 °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 | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1C=CC=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=SBNKFTQSBPKMBZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | 2-Ethoxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.31 Ų | RDKit |
| LogP | 1.96867 | RDKit |
| Molar Refractivity | 47.068500000000014 | RDKit |
