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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

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

Physical Properties

Property Value Source
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 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

Molar

Property Value Source
Molar Refractivity 58.43050000000004 RDKit

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