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Substance Name: 1,4-Cyclohexanebis(methylamine), N,N'-bis(1-cyclohexenylmethyl)-, diacetate, (E)-
RN: 1973-95-1
InChIKey: DFBQRUOKBUEDCF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H38-N2.2C2-H4-O2

Molecular Weight

  • 450.659
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexenemethylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, diacetate, (E)-
  • trans-N,N'-(1,4-Cyclohexylenedimethylene)di(1-cyclohexenemethylamine) diacetate
  • trans-N,N'-Bis(1-cyclohexenylmethyl)-1,4-cyclohexanebis(methylamine) diacetate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1973-95-1

System Generated Number

  • 0001973951

Molecular Formulas

Molecular Formula

  • C22-H38-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C22-H38-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H38N2.2C2H4O2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20;2*1-2(3)4/h7,9,21-24H,1-6,8,10-18H2;2*1H3,(H,3,4)

InChIKey

DFBQRUOKBUEDCF-UHFFFAOYSA-N

Smiles

C1(=CCCCC1)CNCC1CCC(CC1)CNCC1=CCCCC1.CC(=O)O.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.