1,3-Dinitro-1,3-diazacycloheptane
Basic information
- CAS
5754-90-5- Standard SMILES
O=[N+]([O-])N1CCCCN([N+](=O)[O-])C1- InChIKey
XFBIFYVTPFYRSQ-UHFFFAOYSA-N- Molecular formula
- C5H10N4O4
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.07020481
Names & identifiers
- Preferred name
- 1,3-Dinitro-1,3-diazacycloheptane
- IUPAC
- 1,3-dinitro-1,3-diazepane
Names & synonyms
1,3-Dinitro-1,3-diazacycloheptane5754-90-51,3-dinitro-1,3-diazepaneSCHEMBL18561591DTXSID402061601H-1,3-Diazepine, hexahydro-1,3-dinitro-
Database identifiers
- CAS
5754-90-5- PubChem CID
- 138581
- DTXSID
DTXSID40206160- Nikkaji
- J1.037.773K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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