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N,N-Diethyl-2-Hydroxybenzamide
CAS: 19311-91-2 | C11H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19311-91-2
Molecular Formula:
C11H15NO2
Molecular Mass:
193.25 g/mol
Names and Synonyms:
N,N-Diethyl-2-Hydroxybenzamide
Benzamide, N,N-diethyl-2-hydroxy-
Salicylamide, N,N-diethyl-
N,N-Diethyl-2-hydroxybenzamide
N,N-Diethylsalicylamide
Diethylsalicylamide
2-Hydroxy-N,N-diethylbenzamide
Identifiers:
SMILES:
CCN(CC)C(=O)c1ccccc1O
InChI:
InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3
Key Properties
Boiling Point
165-170 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
103-104 °C @ Solvent: Acetone, Water, Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
| 193.246 g/mol | RDKit | |
| 193.11027872 g/mol | RDKit | |
| Boiling Point | 165-170 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1O)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVYXEXAXXWINEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-104 °C @ Solvent: Acetone, Water, Ethanol | CAS Common Chemistry |
| Name | N,N-Diethyl-2-hydroxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| LogP | 1.8741999999999996 | RDKit |
| Molar Refractivity | 55.358300000000035 | RDKit |
