Basic information
- CAS
18063-86-0- Standard SMILES
C1CCN2CCCCC2C1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
UBPKWFYOXCECAB-UHFFFAOYSA-N- Molecular formula
- C15H20N4O7
- Average molar mass
- 368.34 g/mol
- Monoisotopic mass
- 368.13319899
Names & identifiers
- Preferred name
- 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2,4,6-trinitrophenol
- IUPAC
- 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2,4,6-trinitrophenol
Names & synonyms
18063-86-0NSC100167DTXSID40939360NSC-1001672,4,6-Trinitrophenol--octahydro-2H-quinolizine (1/1)
Database identifiers
- CAS
18063-86-0- PubChem CID
- 264802
- DTXSID
DTXSID40939360
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…