Simazine

CAS Registry Number®

122-34-9

CAS Name

Simazine

Molecular Formula

C7H12ClN5

Molecular Mass

201.66

Cite this Page

Simazine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122-34-9 (retrieved 2024-11-22) (CAS RN: 122-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-227 °C (decomp)

  • Density (1)

    1.33 g/cm³ @ Temp: 22 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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)

InChIKey

InChIKey=ODCWYMIRDDJXKW-UHFFFAOYSA-N

SMILES

N(CC)C=1N=C(NCC)N=C(Cl)N1

Canonical SMILES

ClC=1N=C(N=C(N1)NCC)NCC

Other Names for this Substance

  • 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

View All

Deleted or Replaced CAS Registry Numbers

119603-94-0, 11141-20-1, 12764-71-5, 39291-64-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration