Basic information
- CAS
14168-42-4- Standard SMILES
CC(=O)N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1- InChIKey
TYFMKLUIMMSDRU-UHFFFAOYSA-N- Molecular formula
- C5H9N5O5
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.0603684
Names & identifiers
- Preferred name
- 1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-
- IUPAC
- 1-(3,5-dinitro-1,3,5-triazinan-1-yl)ethanone
Names & synonyms
14168-42-41-ACETYLHEXAHYDRO-3,5-DINITRO-1,3,5-TRIAZINE1,3,5-Triazine, 1-acetylhexahydro-3,5-dinitro-1-(3,5-dinitro-1,3,5-triazinan-1-yl)ethan-1-oneDTXSID30161799(3,5-dinitro-1,3,5-triazinan-1-yl)methanoneEthanone, 1-(tetrahydro-3,5-dinitro-1,3,5-triazin-1(2H)-yl)-
Database identifiers
- CAS
14168-42-4- PubChem CID
- 26523
- DTXSID
DTXSID30161799- Nikkaji
- J631.036B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…