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Substance Name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-methylcyclohexyl)-, diacetate, (E)-
RN: 1246-69-1
InChIKey: XNWKPZJCRBUXIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H42-N2.2C2-H4-O2

Molecular Weight

  • 454.691
 
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Names and Synonyms

Synonyms

  • Cyclohexylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(3-methyl-, diacetate, (E)-
  • trans-N,N'-(1,4-Cyclohexylenedimethylene)bis(3-methylcyclohexylamine) diacetate
  • trans-N,N'-Bis(3-methylcyclohexyl)-1,4-cyclohexanebis(methylamine) diacetate

Systematic Name

  • 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-methylcyclohexyl)-, diacetate, (E)-

Registry Numbers

CAS Registry Number

  • 1246-69-1

System Generated Number

  • 0001246691

Molecular Formulas

Molecular Formula

  • C22-H42-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C22-H42-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H42N2.2C2H4O2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22;2*1-2(3)4/h17-24H,3-16H2,1-2H3;2*1H3,(H,3,4)

InChIKey

XNWKPZJCRBUXIU-UHFFFAOYSA-N

Smiles

O=C(C)O.N(CC1CCC(CC1)CN[C@@H]1C[C@@H](C)CCC1)[C@@H]1C[C@@H](C)CCC1.O=C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.