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Oxamide, N,N'-bis(2-hydroxyethyl)-N,N'-dinitro-, dinitrate

HCID 43960
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Basic information

CAS
62209-60-3
Standard SMILES
O=C(C(=O)N(CCO[N+](=O)[O-])[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-]
InChIKey
ISWFDIUPNLGKML-UHFFFAOYSA-N
Molecular formula
C6H8N6O12
Average molar mass
356.16 g/mol
Monoisotopic mass
356.02001971

Names & identifiers

Preferred name
Oxamide, N,N'-bis(2-hydroxyethyl)-N,N'-dinitro-, dinitrate
IUPAC
2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]-2-oxoacetyl]amino]ethyl nitrate
English name
N,N'-Bis(2-hydroxyethyl)-N,N'-dinitro-oxamide dinitrate
Molecular formula
C6H8N6O12
Molecular weight
356.16

Names & synonyms

OXAMIDE, N,N'-BIS(2-HYDROXYETHYL)-N,N'-DINITRO-, DINITRATE62209-60-3BRN 1810575Ethanediamide, N,N'-bis(2-hydroxyethyl)-N,N'-dinitro-, dinitrateDTXSID90211269N,N'-Dinitro-N,N'-bis-(2-hydroxyethyl)oxamidedinatrate(1,2-Dioxoethane-1,2-diyl)bis[(nitroazanediyl)ethane-2,1-diyl] dinitrateN,N'-Bis(2-hydroxyethyl)-N,N'-dinitro-oxamide dinitrateEthanediamide, N1,N2-dinitro-N1,N2-bis[2-(nitrooxy)ethyl]-

Database identifiers

CAS
62209-60-3
PubChem CID
43960
DTXSID
DTXSID90211269

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
242 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
478

Physicochemical properties

Melting point
91 · 91-92 °C
Boiling point
550.9 · 550.9±60.0 °C(Predicted)
Density
1.779 · 1.779±0.06 g/cm3(Predicted)
pka
-3.92 · -3.92±0.70(Predicted)

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