3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
Basic information
- CAS
102585-78-4- Standard SMILES
CCCC[NH+]1CC2CCCC(C2)C1.[Br-]- InChIKey
NLWRRLVDRCHYAU-UHFFFAOYSA-N- Molecular formula
- C12H24BrN
- Average molar mass
- 262.23 g/mol
- Monoisotopic mass
- 261.10921
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane, 3-butyl-, hydrobromide
- IUPAC
- 3-butyl-3-azoniabicyclo[3.3.1]nonane bromide
Names & synonyms
N-Butil-3-isogranatanina bromidrato [Italian]3-Butyl-3-azabicyclo(3.3.1)nonane hydrobromideN-Butil-3-isogranatanina bromidrato3-AZABICYCLO(3.3.1)NONANE, 3-BUTYL-, HYDROBROMIDE102585-78-4RefChem:276774
Database identifiers
- CAS
102585-78-4- PubChem CID
- 59647
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
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Compound notes
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