chempirical

Simazine

C7H12ClN5CAS 122-34-9201.66 g/mol

Open in Covalent MOL file
NNClNHNHN
Aryl halide

Properties

Molecular formula
C7H12ClN5
Molar mass
201.66 g/mol
Exact mass
201.0781 Da
Density
1.33 g/mL (at 22 °C)
Melting point
225–227 °C (decomposes)
logP
0.23Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
122-34-9
SMILES
CCN=c1nc(Cl)[nH]c(=NCC)[nH]1
InChIKey
ODCWYMIRDDJXKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

53 names · show all
  • 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
  • s-Triazine, 2-chloro-4,6-bis(ethylamino)-
  • 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N′-diethyl-
  • 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
  • W 6658
  • G 27692
  • Geigy 27692
  • Aktinit S
  • 2,4-Bis(ethylamino)-6-chloro-s-triazine
  • CDT
  • CET
  • 2-Chloro-4,6-bis(ethylamino)-s-triazine
  • Herboxy
  • Hungazin DT
  • Simazin
  • H 1803
  • Simazine 80W
  • Triazine A 384
  • 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
  • Herbex (pesticide)
  • Tafazine 50W
  • Premazine
  • Radocon
  • Tafazine
  • Gesatop
  • Herbazin 50
  • Simazine 50
  • Herbazin
  • Radokor
  • Princep
  • Bitemol S 50
  • CAT (pesticide)
  • Taphazine
  • Aquazine
  • Symazine
  • CAT
  • Gesatop 50
  • Herbex
  • Yrodazin
  • Simanex
  • 4,6-Bis(ethylamino)-2-chlorotriazine
  • 2-Chloro-4,6-bis(ethylamino)-sym-triazine
  • Herbatoxol S
  • Simatsin-neste
  • Gesatop D
  • Azotop
  • Batazina FLO
  • Simazin S 50
  • Simatox
  • 2,4-Di(ethylamino)-6-chloro-1,3,5-triazine
  • NSC 25999
  • 2-Chloro-4,6-di(ethylamino)triazine
  • Sim-trol 4L

Work with Simazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Atrazine1912-24-971 % similar Simetryn1014-70-657 % similar Simeton673-04-157 % similar Propazine139-40-244 % similar Terbuthylazine5915-41-343 % similar Ametryn834-12-842 % similar Cyanazine21725-46-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia