3-Azabicyclo(3.2.1)octane, 3-(p-aminobenzyl)-1,8,8-trimethyl-, dihydrochloride

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Basic information

CAS: 1220-31-1
Standard SMILES: CC12CCC(C[NH+](Cc3ccc([NH3+])cc3)C1)C2(C)C.[Cl-].[Cl-]
InChIKey: JXFXQBRHCQGLBM-UHFFFAOYSA-N
Molecular formula: C17H28Cl2N2
Average molar mass: 331.3 g/mol
Monoisotopic mass: 330.1629543

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane, 3-(p-aminobenzyl)-1,8,8-trimethyl-, dihydrochloride
IUPAC: [4-[(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)methyl]phenyl]azanium dichloride

Names & synonyms

3-(p-Aminobenzyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane dihydrochloride1220-31-13-AZABICYCLO(3.2.1)OCTANE, 3-(p-AMINOBENZYL)-1,8,8-TRIMETHYL-, DIHYDROCHLORIDERefChem:276742

Database identifiers

CAS: 1220-31-1
PubChem CID: 14648

Properties

Computed structural properties

Topological polar surface area: 32.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 330

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Compound notes

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