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Substance Name: 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate
RN: 4981-10-6
InChIKey: KJTKQMGARPGBEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-Cl2-N2.2C2-H4-O2

Molecular Weight

  • 511.486
 
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Names and Synonyms

Synonyms

  • N,N'-(1,4-Cyclohexylene)bis(2-chlorophenethylamine) diacetate
  • N,N'-Bis(2-chlorophenethyl)-1,4-cyclohexanediamine diacetate
  • Phenethylamine, N,N'-(1,4-cyclohexylene)bis(2-chloro-, diacetate

Systematic Name

  • 1,4-Cyclohexanediamine, N,N'-bis(o-chlorophenethyl)-, diacetate

Registry Numbers

CAS Registry Number

  • 4981-10-6

System Generated Number

  • 0004981106

Molecular Formulas

Molecular Formula

  • C22-H28-Cl2-N2.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C22-H28-Cl2-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28Cl2N2.2C2H4O2/c23-21-7-3-1-5-17(21)13-15-25-19-9-11-20(12-10-19)26-16-14-18-6-2-4-8-22(18)24;2*1-2(3)4/h1-8,19-20,25-26H,9-16H2;2*1H3,(H,3,4)

InChIKey

KJTKQMGARPGBEV-UHFFFAOYSA-N

Smiles

c1(c(CCNC2CCC(NCCc3ccccc3Cl)CC2)cccc1)Cl.C(=O)(O)C.C(=O)(O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 249mg/kg (249mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.