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Substance Name: Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-
RN: 101831-95-2
InChIKey: ABHQIYOUVFNBEC-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-N3-O2

Molecular Weight

  • 273.334
 
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Names and Synonyms

Synonym

  • 5-Nitro-3-(hexamethyleneiminomethyl)indole

Systematic Name

  • Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 101831-95-2

System Generated Number

  • 0101831952

Structure Descriptors

InChI

1S/C15H19N3O2/c19-18(20)13-5-6-15-14(9-13)12(10-16-15)11-17-7-3-1-2-4-8-17/h5-6,9-10,16H,1-4,7-8,11H2

InChIKey

ABHQIYOUVFNBEC-UHFFFAOYSA-N

Smiles

c12c(CN3CCCCCC3)c[nH]c1ccc(c2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100ug/kg (0.1mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12354,