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Substance Name: o-Chlorocinnamoyldiaminopiperazine
RN: 20150-06-5
InChIKey: QUPWYAALBFTQFV-PJJNIZFLSA-N

Molecular Formula

  • C9-H7-Cl-O2.1/2C4-H12-N4

Molecular Weight

  • 481.377
 
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Names and Synonyms

Results Name

  • o-Chlorocinnamoyldiaminopiperazine

Synonyms

  • 2-Propenoic acid, 3-(2-chlorophenyl)-, compd. with 1,4-piperazinediamine (2:1)
  • N,N'-Diaminopiperazine salt of o-chlorocinnamic acid
  • o-Chlorocinnamoyldiaminopiperazine

Systematic Name

  • Cinnamic acid, o-chloro-, compd. with 1,4-diaminopiperazine (2:1)

Registry Numbers

CAS Registry Number

  • 20150-06-5

System Generated Number

  • 0020150065

Molecular Formulas

Molecular Formula

  • C9-H7-Cl-O2.1/2C4-H12-N4

Molecular Formula Fragments

  • C4-H12-N4
  • C9-H7-Cl-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C9H7ClO2.C4H12N4/c2*10-8-4-2-1-3-7(8)5-6-9(11)12;5-7-1-2-8(6)4-3-7/h2*1-6H,(H,11,12);1-6H2/b2*6-5+;

InChIKey

QUPWYAALBFTQFV-PJJNIZFLSA-N

Smiles

c1(c(Cl)cccc1)\C=C\C(=O)[O-].c1(c(cccc1)Cl)\C=C\C(=O)[O-].N1(CCN([NH3+])CC1)[NH3+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 576mg/kg (576mg/kg)   Pharmazie. Vol. 23, Pg. 714, 1968.