3,7-Diazabicyclo(3.3.1)nonane, 3,7-dimethyl-2-isopropyl-, dihydrochloride

HCID 47334

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Basic information

CAS: 64304-19-4
Standard SMILES: CC(C)C1C2CC(C[NH+](C)C2)C[NH+]1C.[Cl-].[Cl-]
InChIKey: INSJWXRTIMBFFQ-UHFFFAOYSA-N
Molecular formula: C12H26Cl2N2
Average molar mass: 269.25 g/mol
Monoisotopic mass: 268.1473042

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dimethyl-2-isopropyl-, dihydrochloride
IUPAC: 3,7-dimethyl-2-propan-2-yl-3,7-diazoniabicyclo[3.3.1]nonane dichloride

Names & synonyms

3,7-Dimethyl-2-isopropylbispidine dihydrochloride64304-19-43,7-Dimethyl-2-isopropyl-3,7-diazabicyclo(3.3.1)nonane dihydrochloride3,7-DIAZABICYCLO(3.3.1)NONANE, 3,7-DIMETHYL-2-ISOPROPYL-, DIHYDROCHLORIDERefChem:272512

Database identifiers

CAS: 64304-19-4
PubChem CID: 47334

Properties

Computed structural properties

Topological polar surface area: 8.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 202

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