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Substance Name: Benzoic acid, 3-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)
RN: 32895-56-0
InChIKey: QCYVTEVPCTZMMI-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O4.C12-H23-N

Molecular Weight

  • 348.44
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzoic acid compd. with N-cyclohexylcyclohexanamine (1:1)
  • 3-Nitrobenzoic acid dicyclohexylamine salt

Systematic Names

  • Benzoic acid, 3-nitro-, compd. with dicyclohexylamine (1:1) (8CI)
  • Benzoic acid, 3-nitro-, compd. with N-cyclohexylcyclohexanamine (1:1)

Registry Numbers

CAS Registry Number

  • 32895-56-0

System Generated Number

  • 0032895560

Molecular Formulas

Molecular Formula

  • C7-H5-N-O4.C12-H23-N

Molecular Formula Fragments

  • C12-H23-N
  • C7-H5-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H23N.C7H5NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;9-7(10)5-2-1-3-6(4-5)8(11)12/h11-13H,1-10H2;1-4H,(H,9,10)

InChIKey

QCYVTEVPCTZMMI-UHFFFAOYSA-N

Smiles

C1(NC2CCCCC2)CCCCC1.C(c1cc(ccc1)[N+](=O)[O-])(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 290mg/kg (290mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.
rat LD50 oral 925mg/kg (925mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.