Basic information
- CAS
64048-59-5- Standard SMILES
C[N+](C)(C)CCCCN1CC2CCCC(C2)C1.[I-]- InChIKey
KIUPQKLADOGVNI-UHFFFAOYSA-M- Molecular formula
- C15H31IN2
- Average molar mass
- 366.32 g/mol
- Monoisotopic mass
- 366.1532
Names & identifiers
- Preferred name
- Ammonium, (4-(3-azabicyclo(3.3.1)non-3-yl)butyl)trimethyl-, iodide
- IUPAC
- 4-(3-azabicyclo[3.3.1]nonan-3-yl)butyl-trimethylazanium iodide
Names & synonyms
64048-59-53-Azabicyclo(3.3.1)nonane, 3-(4-(trimethylammonio)butyl)-, iodideAMMONIUM, (4-(3-AZABICYCLO(3.3.1)NON-3-YL)BUTYL)TRIMETHYL-, IODIDERefChem:318903DTXSID509822864-(3-Azabicyclo[3.3.1]nonan-3-yl)-N,N,N-trimethylbutan-1-aminium iodide
Database identifiers
- CAS
64048-59-5- PubChem CID
- 46802
- DTXSID
DTXSID50982286
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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