9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
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Basic information
- CAS
56258-86-7- Standard SMILES
CC(C)(C)N1C2CCCC1CC(=O)C2- InChIKey
UGFANJRQMBRULK-UHFFFAOYSA-N- Molecular formula
- C12H21NO
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.16231429
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-
- IUPAC
- 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
Names & synonyms
9-Azabicyclo(3.3.1)nonan-3-one, 9-tert-butyl-9-Azabicyclo[3.3.1]nonan-3-one, 9-tert-butyl-97877-72-09-tert-butyl-9-azabicyclo[3.3.1]nonan-3-oneDTXSID40913564AKOS012005269
Database identifiers
- CAS
56258-86-7、97877-72-0- PubChem CID
- 145308
- DTXSID
DTXSID40913564
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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