3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-, hydrochloride

HCID 47336

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Basic information

CAS: 64304-21-8
Standard SMILES: CCCCN1CC2CC(C1)C[NH+](CCCC)C2.[Cl-]
InChIKey: OVTVLXOIQUNNMB-UHFFFAOYSA-N
Molecular formula: C15H31ClN2
Average molar mass: 274.87 g/mol
Monoisotopic mass: 274.2175767

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-, hydrochloride
IUPAC: 3,7-dibutyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride

Names & synonyms

3,7-DIAZABICYCLO(3.3.1)NONANE, 3,7-DIBUTYL-, HYDROCHLORIDE64304-21-8RefChem:10661203,7-Dibutyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride3,7-Dibutylbispidine hydrochloride

Database identifiers

CAS: 64304-21-8
PubChem CID: 47336

Properties

Computed structural properties

Topological polar surface area: 7.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 203

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