Home > Compound List > Compound details
134-62-3 molecular structure
click picture or here to close

N,N-diethyl-3-methylbenzamide

ChemBase ID: 107238
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
CCN(CC)C(=O)c1cccc(C)c1
Canonical SMILES:
CCN(C(=O)c1cccc(c1)C)CC
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
InChIKey:
MMOXZBCLCQITDF-UHFFFAOYSA-N

Cite this record

CBID:107238 http://www.chembase.cn/molecule-107238.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-3-methylbenzamide
IUPAC Traditional name
DETA
Synonyms
N,N-Diethyl-3-methylbenzamide
DEET
N,N-Diethyl-m-toluamide
m-Toluic acid diethylamide
N,N-Diethyl-3-methylbenzamide
N,N-DIETHYL-m-TOLUAMIDE
N,N-Diethyl-m-toluamide
DEET
DEET
N,N-Diethyl-m-toluamide
250MG - N,N-Diethyl-m-toluamide
N,N-Diethyl-3-methylbenzamide
3-Methyl-N,N-diethylbenzamide
M-Det
m-DETA
m-Delphene
ENT 22542
Dieltamid
Flypel
Metadelphene
N,N-二乙基-间甲苯酰胺
间甲苯酸二乙胺
N,N-二乙基-3-甲基苯甲酰胺
N,N-二乙基间甲苯酰胺
N,N-二乙基间甲苯酰胺
CAS Number
134-62-3
EC Number
205-149-7
MDL Number
MFCD00009046
Beilstein Number
2046711
Merck Index
142856
PubChem SID
24893319
24899307
24859526
24867898
162093365
24862517
PubChem CID
4284
ATC CODE
QP53GX01
CHEMBL
1453317
Chemspider ID
4133
KEGG ID
D02379
Unique Ingredient Identifier
FB0C1XZV4Y
Wikipedia Title
DEET

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4982753  LogD (pH = 7.4) 2.4982755 
Log P 2.4982755  Molar Refractivity 59.4682 cm3
Polarizability 22.294565 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
Colorless Liquid expand Show data source
Melting Point
-45°C expand Show data source
Boiling Point
110-112°C/1mm expand Show data source
111 °C/1 mmHg expand Show data source
160 °C/19 mmHg(lit.) expand Show data source
288-292 °C expand Show data source
Flash Point
145°C(293°F) expand Show data source
203 °F expand Show data source
95 °C expand Show data source
Density
0.997 expand Show data source
0.998 g/mL expand Show data source
0.998 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.5230 expand Show data source
n20/D 1.523 expand Show data source
n20/D 1.523(lit.) expand Show data source
Vapor Pressure
<0.01 mmHg ( 25 °C) expand Show data source
Vapor Density
6.7 (vs air) expand Show data source
Storage Condition
Refrigerator expand Show data source
RTECS
XS3675000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
22-36/38-52/53 expand Show data source
R:22-36/38 expand Show data source
R23 R24 R25 expand Show data source
Safety Statements
61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H412 expand Show data source
GHS Precautionary statements
P273-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 250 mg expand Show data source
Linear Formula
CH3C6H4CON(C2H5)2 expand Show data source
Empirical Formula (Hill Notation)
C12H17NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05203013 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D100951 external link
Packaging
100, 500 g in glass bottle
2 kg in glass bottle
Sigma Aldrich - 36542 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gilbert, I.H., et al.: J. Econ. Entomol., 48, 741 (1955)
  • • Ambrose, A.M., et al.: Toxicol. Appl. Pharmacol., 1, 97 (1955)
  • • Blomquist, L., Acta Pharmacol. Toxicol., 41, 235 (1955)
  • • Yeung, J.M., et al.: Drug Metab. Dispos., 16, 600 (1955)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle