7-Methyl-7-azabicyclo[3.2.1]octane
Basic information
- CAS
34584-07-1- Standard SMILES
CN1CC2CCCC1C2.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
KYOATTORQMYLNK-UHFFFAOYSA-N- Molecular formula
- C14H18N4O7
- Average molar mass
- 354.32 g/mol
- Monoisotopic mass
- 354.11754893
Names & identifiers
- Preferred name
- 7-Methyl-7-azabicyclo[3.2.1]octane
- IUPAC
- 6-methyl-6-azabicyclo[3.2.1]octane;2,4,6-trinitrophenol
Names & synonyms
34584-07-1NSC1769327-Methyl-7-azabicyclo[3.2.1]octaneDTXSID90306487NSC-176932DS-0092392,4,6-Trinitrophenol--6-methyl-6-azabicyclo[3.2.1]octane (1/1)
Database identifiers
- CAS
34584-07-1- PubChem CID
- 301006
- DTXSID
DTXSID90306487
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
- 403
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Related reactions
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Compound notes
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