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Substance Name: Cyclohexamethylenimine 3,5-dinitrobenzoate
RN: 7270-75-9
UNII: 969V4N370K
InChIKey: QSDQBPFMAVYUTI-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-N2-O6.C6-H13-N

Molecular Weight

  • 311.2923
 
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Names and Synonyms

Name of Substance

  • Cyclohexamethylenimine 3,5-dinitrobenzoate

Synonyms

  • 1H-Azepine, hexahydro-, 3,5-dinitrobenzoate
  • Benzoic acid, 3,5-dinitro-, compd. with hexahydro-1H-azepine (1:1)
  • Benzoic acid, 3,5-dinitro-, compd. with hexamethylenimine
  • Cyclohexamethylenimine 3,5-dinitrobenzoate
  • Hexamethylenimine, 3,5-dinitrobenzoate
  • UNII-969V4N370K

Registry Numbers

CAS Registry Number

  • 7270-75-9

FDA UNII

  • 969V4N370K

System Generated Number

  • 0007270759

Structure Descriptors

InChI

1S/C7H4N2O6.C6H13N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-4-6-7-5-3-1/h1-3H,(H,10,11);7H,1-6H2

InChIKey

QSDQBPFMAVYUTI-UHFFFAOYSA-N

Smiles

c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O.C1CCCNCC1