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Molecule
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 Mass
- 191.27 g/mol
Identifiers
CAS Registry Number
134-62-3
SMILES
CCN(CC)C(=O)c1cccc(C)c1
InChI Key
MMOXZBCLCQITDF-UHFFFAOYSA-N
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
Names and Synonyms
- Deet Synonym
- Benzamide, N,N-diethyl-3-methyl- Synonym
- m-Toluamide, N,N-diethyl- Synonym
- N,N-Diethyl-3-methylbenzamide Synonym
- ENT 20218 Synonym
- Delphene Synonym
- DET Synonym
- DETA Synonym
- Detamide Synonym
- m-Delphene Synonym
- Metadelphene Synonym
- 3-Methyl-N,N-diethylbenzamide Synonym
- Naugatuck DET Synonym
- DEET Synonym
- Diethyl-m-toluamide Synonym
- m-Toluic acid diethylamide Synonym
- ENT 22542 Synonym
- Diethyltoluamide Synonym
- m-DETA Synonym
- Autan Synonym
- Dieltamid Synonym
- Flypel Synonym
- Off Synonym
- AI 3-22542 Synonym
- Repper DET Synonym
- Repudin-Special Synonym
- M-Det Synonym
- DET (insect repellent) Synonym
- Amincene C-EM Synonym
- Amincene C 140 Synonym
- Bepper DET Synonym
- N,N-Diethyl-m-methylbenzamide Synonym
- N,N-Diethyl-m-tolylamide Synonym
- N,N-Diethyl-m-toluamide Synonym
- N,N-Diethyl-m-toluamide Synonym
- NSC 33840 Synonym
- Finish MIT Synonym
- Ultrathon Synonym
- Sawyer Control Release Formula Synonym
- Metadelfene Synonym
- Amway Hour Guard Synonym
- Off! Skintastic Synonym
- Cutter Unscented Synonym
- Sawyer Controlled-Release Synonym
- Vaseline Mosquito Repellent Synonym
- N,N-Diethyl-meta-toluamide Synonym
- N,N-Diethyl-3-methylbenzoylamide Synonym
- Ultra 30 Synonym
- N,N′-Diethyl-3-methylbenzamide Synonym
- Off! Active Synonym
- Off! FamilyCare Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.27 g/mol | CAS Common Chemistry |
| 191.274 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DEET | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=CC(=C1)C)N(CC)CC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=MMOXZBCLCQITDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -45 °C | CAS Common Chemistry |
| Name | N,N-Diethyl-m-toluamide | CAS Common Chemistry |
| DEET | CAS Common Chemistry | |
| Heavy Atom Count | 14 | 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 |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.4770200000000004 | RDKit |
| 2.477 | RDKit | |
| 2.66 | chempirical lib | |
| Molar Refractivity | 58.43050000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 191.131014164 g/mol | RDKit |
| Boiling Point | 160 °C @ 19 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 191.27 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H17NO.
