Back to Search
N,N-Diethylbenzamide
CAS: 1696-17-9 | C11H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1696-17-9
Molecular Formula:
C11H15NO
Molecular Mass:
177.25 g/mol
Names and Synonyms:
N,N-Diethylbenzamide
Benzamide, N,N-diethyl-
N,N-Diethylbenzamide
Benzoic acid diethylamide
R 2
Benzoyldiethylamine
R 2 (insect repellent)
Benzoic acid N,N-diethylamide
Rebemid
Rebemide
NSC 16060
Identifiers:
SMILES:
CCN(CC)C(=O)c1ccccc1
InChI:
InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
Key Properties
Boiling Point
130-132 °C @ Press: 9 Torr
CAS Common Chemistry
Melting Point
127-128 °C
CAS Common Chemistry
Density
1.01 g/cm³
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 | 177.25 g/mol | CAS Common Chemistry |
| 177.247 g/mol | RDKit | |
| 177.1153641 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.010 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 130-132 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLNGEXDJAQASHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-128 °C | CAS Common Chemistry |
| Name | N,N-Diethylbenzamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.1685999999999996 | RDKit |
| Molar Refractivity | 53.693500000000036 | RDKit |
