Basic information
- CAS
6537-83-3- Standard SMILES
CC(=O)OCN(CN(CN(CN(COC(C)=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]- InChIKey
LDBSGTRAQJIAIE-UHFFFAOYSA-N- Molecular formula
- C9H16N8O12
- Average molar mass
- 428.27 g/mol
- Monoisotopic mass
- 428.08876798
Names & identifiers
- Preferred name
- 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
- IUPAC
- [[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl-nitroamino]methyl acetate
- English name
- 2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
- Molecular formula
- C9H16N8O12
- Molecular weight
- 428.27
Names & synonyms
6537-83-32,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetateEINECS 229-450-8SCHEMBL9444050DTXSID80215690LDBSGTRAQJIAIE-UHFFFAOYSA-NAKOS024353705NS00035869ST509799221,9-diacetoxy-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane[({[({[(acetyloxymethyl)nitroamino]methyl}nitroamino)methyl]nitroamino}methyl) nitroamino]methyl acetate2,4,6,8-Tetranitro-2,4,6,8-tetraaza-1,9-nonanediol diacetate
Show more names
2,4,6,8-Tetraazanonane-1,9-diol, 2,4,6,8-tetranitro-, 1-diacetateDiacetic acid 2,4,6,8-tetranitro-2,4,6,8-tetraazanonane-1,9-diyl esterDiacetic acid methylenebis[nitroiminomethylene(nitroimino)methylene] ester
Database identifiers
- CAS
6537-83-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 807 · 807.0±65.0 °C(Predicted)
- Density
- 1.621 · 1.621±0.06 g/cm3(Predicted)
- pka
- -15.56 · -15.56±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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