Basic information
- CAS
6138-69-8- Standard SMILES
CN1C2CCCC1CC2.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
BEYOPVGWSMNKDZ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O7
- Average molar mass
- 354.32 g/mol
- Monoisotopic mass
- 354.11754893
Names & identifiers
- Preferred name
- Tropane, picrate
- IUPAC
- 8-methyl-8-azabicyclo[3.2.1]octane;2,4,6-trinitrophenol
Names & synonyms
6138-69-8Tropane, picrateNSC133551DTXSID00299896NSC-1335512,4,6-Trinitrophenol--8-methyl-8-azabicyclo[3.2.1]octane (1/1)
Database identifiers
- CAS
6138-69-8- PubChem CID
- 281065
- DTXSID
DTXSID00299896
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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