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85605-18-1

85605-18-1 | 3,7-dinitroso-1,3,5,7-tetraazabicyclo(3.3.1)nonane

CAS No: 85605-18-1 Catalog No: AG004U4Y MDL No:MFCD00023882

Product Description

Catalog Number:
AG004U4Y
Chemical Name:
3,7-dinitroso-1,3,5,7-tetraazabicyclo(3.3.1)nonane
CAS Number:
85605-18-1
Molecular Formula:
C5H10N6O2
Molecular Weight:
186.1719
MDL Number:
MFCD00023882
IUPAC Name:
3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
InChI Key:
MWRWFPQBGSZWNV-UHFFFAOYSA-N
SMILES:
O=NN1CN2CN(C1)CN(C2)N=O
EC Number:
202-928-3
UNII:
O35M5QNM4Q
NSC Number:
73599
RTECS Number:
XA5250000
UN Number:
3224

Properties

Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.175g/mol
Monoisotopic Mass:
186.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats. The Journal of toxicological sciences 20170101
Thermal reactivity of some nitro- and nitroso-compounds derived from 1,3,5,7-tetraazabicyclo[3.3.1]nonane at contamination by ammonium nitrate. Journal of hazardous materials 20050520
Some characteristics of 3,7-dinitro-, 3,7-dinitroso- and dinitrate compounds derived from 1,3,5,7-tetraazabicyclo[3.3.1]nonane. Journal of hazardous materials 20050317

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