Basic information
- CAS
13980-00-2- Standard SMILES
CC(=O)N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1- InChIKey
CJYDNDLQIIGSTH-UHFFFAOYSA-N- Molecular formula
- C6H11N7O7
- Average molar mass
- 293.2 g/mol
- Monoisotopic mass
- 293.07199572
Names & identifiers
- Preferred name
- 1-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone
- IUPAC
- 1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanone
- English name
- 1-acetyloctahydro-3,5,7-trinitro-1,3,5,7-tetrazocine
- Molecular formula
- C6H11N7O7
- Molecular weight
- 293.19
Names & synonyms
13980-00-21,3,5,7-Tetrazocine, octahydro-1-acetyl-3,5,7-trinitro-DTXSID50161170RefChem:1054697DTXCID10836611-(Hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)ethanone237-765-71-Acetyloctahydro-3,5,7-trinitro-1,3,5,7-tetrazocineSEX (explosive)Solex (explosive)1-(3,5,7-trinitro-1,3,5,7-tetrazocan-1-yl)ethanoneEINECS 237-765-7
Show more names
Ethanone, 1-(hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)-
1-Acetyl-3,5,7-trinitro-1,3,5,7-octahydrotetrazocineSCHEMBL9462062CJYDNDLQIIGSTH-UHFFFAOYSA-N1-(3,5,7-Trinitro-1,3,5,7-tetrazocan-1-yl)ethan-1-oneEthanone,1-(hexahydro-3,5,7-trinitro-1,3,5,7-tetrazocin-1(2H)-yl)-DB-250262NS00024516Q2121168
Database identifiers
- CAS
13980-00-2- PubChem CID
- 26367
- DTXSID
DTXSID50161170- EC Number
- 237-765-7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 224.2 · 224.2-224.7 °C
- Boiling point
- 797.3 · 797.3±60.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- -1.55 · -1.55±0.20(Predicted)
- Toxicity
- 50 oral · LD50 oral in rat: > 5gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: > 5gm/kg
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…