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Substance Name: Simeton [BSI]
RN: 673-04-1
UNII: 387DQL493M
InChIKey: HKAMKLBXTLTVCN-UHFFFAOYSA-N

Note

  • An herbicide.

Molecular Formula

  • C8-H15-N5-O

Molecular Weight

  • 197.2405
 

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Out-Dated Pesticide
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Names and Synonyms

Results Name

  • Simeton [BSI]

Name of Substance

  • Simeton [BSI]

Synonyms

  • 2,4-Bis(ethylamino)-6-methoxy-s-triazine
  • 2-Methoxy-4,6-bis(ethylamino)-s-triazine
  • 4,6-Bis(ethylamino)-2-methoxy-s-triazine
  • 4-26-00-01314 (Beilstein Handbook Reference)
  • AI3-60367
  • BRN 0011608
  • Caswell No. 094A
  • EINECS 211-601-4
  • EPA Pesticide Chemical Code 294200
  • G-30044
  • Geigy 30,044
  • Gesadural
  • Methoxy simazine
  • NSC 163050
  • Pimeton
  • Simeton
  • Simetone
  • UNII-387DQL493M

Systematic Names

  • 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-methoxy-
  • N,N'-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
  • s-Triazine, 2,4-bis(ethylamino)-6-methoxy-

Registry Numbers

CAS Registry Number

  • 673-04-1

FDA UNII

  • 387DQL493M

System Generated Number

  • 0000673041

Structure Descriptors

InChI

1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

InChIKey

HKAMKLBXTLTVCN-UHFFFAOYSA-N

Smiles

CCNc1nc(nc(n1)OC)NCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03978,
rat LD50 oral 535mg/kg (535mg/kg)   Residue Reviews. Vol. 10, Pg. 97, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.17 (none)   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 3200 mg/L 20 EXP
Vapor Pressure 2.40E-06 mm Hg 20 EXP
Henry's Law Constant 1.95E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.89E-11 cm3/molecule-sec 25 EST

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