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Home > Nitro Compounds > 949-56-4
949-56-4 | 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane
CAS No: 949-56-4 Catalog No: AG005U1W MDL No:
Product Description
Catalog Number:
AG005U1W
Chemical Name:
3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane
CAS Number:
949-56-4
Molecular Formula:
C5H10N6O4
Molecular Weight:
218.1707
IUPAC Name:
3,7-dinitro-1,3,5,7-tetrazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C5H10N6O4/c12-10(13)8-2-6-1-7(4-8)5-9(3-6)11(14)15/h1-5H2
InChI Key:
UOYIYWCAYFTQLH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CN2CN(C1)CN(C2)[N+](=O)[O-]
EC Number:
213-441-0
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.173g/mol
Monoisotopic Mass:
218.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization and thermolysis studies on 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT): A key precursor in the synthesis of most powerful benchmark energetic materials (RDX/HMX) of today. | Journal of hazardous materials 20080415 |
| 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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