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Substance Name: 1,4-Cyclohexenebis(methylamine), N,N'-dicyclohexyl-, diacetate
RN: 2077-74-9
InChIKey: YAPSKXXWJVKWBA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H36-N2.2C2-H4-O2

Molecular Weight

  • 424.622
 
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Names and Synonyms

Synonyms

  • Cyclohexylamine, N,N'-(1,4-cyclohexenylenedimethylene)di-, diacetate
  • N,N'-(1,4-Cyclohexenylenedimethylene)dicyclohexaneamine diacetate
  • N,N'-Dicyclohexyl-1,4-cyclohexenebis(methylamine) diacetate

Systematic Name

  • 1,4-Cyclohexenebis(methylamine), N,N'-dicyclohexyl-, diacetate

Registry Numbers

CAS Registry Number

  • 2077-74-9

System Generated Number

  • 0002077749

Molecular Formulas

Molecular Formula

  • C20-H36-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C20-H36-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H36N2.2C2H4O2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20;2*1-2(3)4/h11,18-22H,1-10,12-16H2;2*1H3,(H,3,4)

InChIKey

YAPSKXXWJVKWBA-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CNC2CCCCC2)CC1)CNC1CCCCC1.CC(O)=O.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 501mg/kg (501mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.