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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Molecular Molecular Weight 191.274 g/mol RDKit
Exact Exact Molecular Weight 191.131014164 g/mol RDKit
Heavy Heavy Atom Count 14 count RDKit
Hydrogen Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 0 count RDKit
Rotatable Rotatable Bonds 3 count RDKit
Aromatic Aromatic Ring Count 1 count RDKit
Topological Topological Polar Surface Area 20.310000000000002 Ų RDKit
Physical Properties LogP 2.4770200000000004 RDKit
molecular_mass 191.27 g/mol Legacy Database
density 1.00 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/DEET Legacy Database
cas-boiling-point 160 °C @ Press: 19 Torr Legacy Database
cas-canonical-smile O=C(C1=CC=CC(=C1)C)N(CC)CC Legacy Database
cas-density 0.996 g/cm3 @ Temp: 20 °C 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 Legacy Database
cas-inchi-key InChIKey=MMOXZBCLCQITDF-UHFFFAOYSA-N Legacy Database
cas-melting-point -45 °C Legacy Database
cas-name N,N-Diethyl-m-toluamide Legacy Database
wikipedia-name DEET Legacy Database
Molar Molar Refractivity 58.43050000000004 RDKit

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