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Substance Name: N,N-Diethyl-p-toluamide
RN: 2728-05-4
UNII: I8BWY8K43U
InChIKey: PUZORFQMRDHKBT-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O

Molecular Weight

  • 191.2723
 
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Names and Synonyms

Name of Substance

  • N,N-Diethyl-p-toluamide

Synonyms

  • 4-09-00-01734 (Beilstein Handbook Reference)
  • AI3-20219
  • Benzamide, N,N-diethyl-4-methyl-
  • BRN 1868295
  • N,N-Diethyl-4-methylbenzamide
  • N,N-Diethyl-p-toluamide
  • NSC 5686
  • p-DEET
  • p-DETA
  • UNII-I8BWY8K43U

Systematic Names

  • Benzamide, N,N-diethyl-4-methyl-
  • p-Toluamide, N,N-diethyl-

Registry Numbers

CAS Registry Number

  • 2728-05-4

FDA UNII

  • I8BWY8K43U

System Generated Number

  • 0002728054

Structure Descriptors

InChI

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

InChIKey

PUZORFQMRDHKBT-UHFFFAOYSA-N

Smiles

CCN(CC)C(=O)c1ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2300mg/kg (2300mg/kg)   Toxicology and Applied Pharmacology. Vol. 7, Pg. 772, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.38 (none)   EXP
Water Solubility 449 mg/L 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.