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Substance Name: 2-Methyl-N,N-diethylbenzamide
RN: 2728-04-3
UNII: N9J26R98VQ
InChIKey: KUYQDJOFVBGZID-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H17-N-O

Molecular Weight

  • 191.272
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-N,N-diethylbenzamide

Synonyms

  • 2-Methyl-N,N-diethylbenzamide
  • 4-09-00-01702 (Beilstein Handbook Reference)
  • AI3-20217
  • Benzamide, N,N-diethyl-2-methyl-
  • BRN 2257532
  • N,N-Diethyl-2-methylbenzamide
  • N,N-Diethyl-o-toluamide
  • NSC 405380
  • o-DEET
  • o-DETA
  • UNII-N9J26R98VQ

Systematic Names

  • Benzamide, N,N-diethyl-2-methyl-
  • o-Toluamide, N,N-diethyl-

Registry Numbers

CAS Registry Number

  • 2728-04-3

FDA UNII

  • N9J26R98VQ

System Generated Number

  • 0002728043

Structure Descriptors

InChI

1S/C12H17NO/c1-4-13(5-2)12(14)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3

InChIKey

KUYQDJOFVBGZID-UHFFFAOYSA-N

Smiles

Cc1ccccc1C(=O)N(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1210mg/kg (1210mg/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 772, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.02 (none)   EXP
Water Solubility 912 mg/L 25 EST
Vapor Pressure 3.32E-04 mm Hg 25 EST
Henry's Law Constant 2.08E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.78E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.