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Basic information
- CAS
20600-96-8- Standard SMILES
O=[N+]([O-])OCC(COCC(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
SKKBQEZMHMDRLE-UHFFFAOYSA-N- Molecular formula
- C6H10N4O13
- Average molar mass
- 346.16 g/mol
- Monoisotopic mass
- 346.02443639
Names & identifiers
- Preferred name
- Diglycerol tetranitrate
- IUPAC
- [1-(2,3-dinitrooxypropoxy)-3-nitrooxypropan-2-yl] nitrate
- English name
- 3,3'-Oxybis(1,2-propanediol)tetranitrate
- Molecular formula
- C6H10N4O13
- Molecular weight
- 346.16
Names & synonyms
Diglycerol tetranitrateTetranitro diglycerin20600-96-81,2-PROPANEDIOL, 3,3'-OXYDI-, TETRANITRATE2,3-dinitroxypropyl etherDTXSID60942790Tetranitro diglycerin [Forbidden]SKKBQEZMHMDRLE-UHFFFAOYSA-NOxydi(propane-3,1,2-triyl) tetranitrate3,3'-Oxybis(1,2-propanediol)tetranitrate1,2-Propanediol, 3,3'-oxybis-, 1,1',2,2'-tetranitrate
Database identifiers
- CAS
20600-96-8- PubChem CID
- 30198
- DTXSID
DTXSID60942790- Nikkaji
- J64.296G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 480.94 °C · 480.94°C (rough estimate)
- Density
- 1.8447 · 1.8447 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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