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

HCID 47340

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Basic information

CAS: 64304-23-0
Standard SMILES: [Cl-].c1ccc(CN2CC3CC(C2)C[NH+](Cc2ccccc2)C3)cc1
InChIKey: HHONZOKNSFSZIR-UHFFFAOYSA-N
Molecular formula: C21H27ClN2
Average molar mass: 342.9 g/mol
Monoisotopic mass: 342.1862766

Names & identifiers

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

Names & synonyms

3,7-DIAZABICYCLO(3.3.1)NONANE, 3,7-DIBENZYL-, HYDROCHLORIDE64304-23-0RefChem:10661193,7-Dibenzyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride3,7-Dibenzylbispidine hydrochloride

Database identifiers

CAS: 64304-23-0
PubChem CID: 47340

Properties

Computed structural properties

Topological polar surface area: 7.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 343

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