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80251-29-2

80251-29-2 | 1,3,5-Triazine, hexahydro-1-nitro-3,5-dinitroso-

CAS No: 80251-29-2 Catalog No: AG005NKT MDL No:

Product Description

Catalog Number:
AG005NKT
Chemical Name:
1,3,5-Triazine, hexahydro-1-nitro-3,5-dinitroso-
CAS Number:
80251-29-2
Molecular Formula:
C3H6N6O4
Molecular Weight:
190.1175
IUPAC Name:
1-nitro-3,5-dinitroso-1,3,5-triazinane
InChI:
InChI=1S/C3H6N6O4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3H2
InChI Key:
HXLUHUHPTTZBCS-UHFFFAOYSA-N
SMILES:
O=NN1CN(N=O)CN(C1)[N+](=O)[O-]

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.119g/mol
Monoisotopic Mass:
190.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

Title Journal
Multigenerational effects in deer mice (Peromyscus maniculatus) exposed to hexahydro-1,3,5-trinitroso-1,3,5-triazine (TNX). Chemosphere 20090501
Abiotic transformation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by green rusts. Environmental science & technology 20080601
Regulation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) metabolism in Shewanella halifaxensis HAW-EB4 by terminal electron acceptor and involvement of c-type cytochrome. Microbiology (Reading, England) 20080401
Metabolite profiling of [14C]hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in Yucatan miniature pigs. Journal of toxicology and environmental health. Part A 20070701
Age dependent acute oral toxicity of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and two anaerobic N-nitroso metabolites in deer mice (Peromyscus maniculatus). Chemosphere 20070501
Extraction and determination of trace amounts of energetic compounds in blood by gas chromatography with electron capture detection (GC/ECD). Talanta 20070430
N-Nitroso compounds produced in deer mouse (Peromyscus maniculatus) GI tracts following hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) exposure. Chemosphere 20070401
Biodegradation of hexahydro-1,3,5-trinitro-1,3,5-triazine by novel fungi isolated from unexploded ordnance contaminated marine sediment. Journal of industrial microbiology & biotechnology 20061001
Determination of N-nitroso derivatives of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in soils by pressurized liquid extraction and liquid chromatography-electrospray ionization mass spectrometry. Journal of chromatography. A 20060224
Reproductive effects of hexahydro-1,3,5-trinitroso-1,3,5-triazine in deer mice (Peromyscus maniculatus) during a controlled exposure study. Environmental toxicology and chemistry 20060201
Extraction and analysis of trace amounts of cyclonite (RDX) and its nitroso-metabolites in animal liver tissue using gas chromatography with electron capture detection (GC-ECD). Talanta 20051015
Use of pressurized liquid extraction (PLE)/gas chromatography-electron capture detection (GC-ECD) for the determination of biodegradation intermediates of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in soils. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050925
Up-and-down procedure (UDP) determinations of acute oral toxicity of nitroso degradation products of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Journal of applied toxicology : JAT 20050101
Metabolism and mineralization of hexahydro-1,3,5-trinitro-1,3,5-triazine inside poplar tissues (Populus deltoides x nigra DN-34). Environmental science & technology 20040901
Metabolism of hexahydro-1,3,5-trinitro-1,3,5-triazine through initial reduction to hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine followed by denitration in Clostridium bifermentans HAW-1. Applied microbiology and biotechnology 20031201
Anaerobic biotransformation of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) by aquifer bacteria using hydrogen as the sole electron donor. Water research 20020501
Hexahydro-1,3,5-trinitro-1,3,5-triazine mineralization by zerovalent iron and mixed anaerobic cultures. Environmental science & technology 20011101
The fate of the cyclic nitramine explosive RDX in natural soil. Environmental science & technology 20010315
Characterization of metabolites during biodegradation of hexahydro-1, 3,5-trinitro-1,3,5-triazine (RDX) with municipal anaerobic sludge. Applied and environmental microbiology 20000601

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