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Deet
CAS: 134-62-3 | C12H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-62-3
Molecular Formula:
C12H17NO
Molecular Weight:
191.274 g/mol
Names and Synonyms:
Deet
Benzamide, N,N-diethyl-3-methyl-
m-Toluamide, N,N-diethyl-
N,N-Diethyl-3-methylbenzamide
ENT 20218
Delphene
DET
DETA
Detamide
m-Delphene
Metadelphene
3-Methyl-N,N-diethylbenzamide
Naugatuck DET
DEET
Diethyl-m-toluamide
m-Toluic acid diethylamide
ENT 22542
Diethyltoluamide
m-DETA
Autan
Dieltamid
Flypel
Off
AI 3-22542
Repper DET
Repudin-Special
M-Det
DET (insect repellent)
Amincene C-EM
Amincene C 140
Bepper DET
N,N-Diethyl-m-methylbenzamide
N,N-Diethyl-m-tolylamide
N,N-Diethyl-m-toluamide
N,N-Diethyl-m-toluamide
NSC 33840
Finish MIT
Ultrathon
Sawyer Control Release Formula
Metadelfene
Amway Hour Guard
Off! Skintastic
Cutter Unscented
Sawyer Controlled-Release
Vaseline Mosquito Repellent
N,N-Diethyl-meta-toluamide
N,N-Diethyl-3-methylbenzoylamide
Ultra 30
N,N′-Diethyl-3-methylbenzamide
Off! Active
Off! FamilyCare
Identifiers:
SMILES:
CCN(CC)C(=O)c1cccc(C)c1
InChI:
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 191.27 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/DEET None | Legacy Database |
| cas-boiling-point | 160 °C @ Press: 19 Torr None | Legacy Database |
| cas-canonical-smile | O=C(C1=CC=CC(=C1)C)N(CC)CC None | Legacy Database |
| cas-density | 0.996 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MMOXZBCLCQITDF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -45 °C None | Legacy Database |
| cas-name | N,N-Diethyl-m-toluamide None | Legacy Database |
| wikipedia-name | DEET None | Legacy Database |
| LogP | 2.4770200000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 191.274 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 191.131014164 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 14 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 58.43050000000004 | RDKit |
