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Substance Name: Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-5-nitro-
RN: 101831-98-5
InChIKey: MSMUAQKPNKYOPC-UHFFFAOYSA-N

Molecular Formula

  • C16-H21-N3-O2

Molecular Weight

  • 287.361
 
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Names and Synonyms

Synonym

  • 5-Nitro-3-(heptamethyleneiminomethyl)indole

Systematic Name

  • Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 101831-98-5

System Generated Number

  • 0101831985

Structure Descriptors

InChI

1S/C16H21N3O2/c20-19(21)14-6-7-16-15(10-14)13(11-17-16)12-18-8-4-2-1-3-5-9-18/h6-7,10-11,17H,1-5,8-9,12H2

InChIKey

MSMUAQKPNKYOPC-UHFFFAOYSA-N

Smiles

c12c(CN3CCCCCCC3)c[nH]c1ccc(c2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 447ug/kg (0.447mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12355,