3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-methyl-, dihydrochloride

HCID 58175

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Basic information

CAS: 101077-15-0
Standard SMILES: CN1C2CCCC1CN(Cc1ccccc1)C2.Cl.Cl
InChIKey: XBSCMOVDPUVXPF-UHFFFAOYSA-N
Molecular formula: C15H24Cl2N2
Average molar mass: 303.3 g/mol
Monoisotopic mass: 302.1316542

Names & identifiers

Preferred name: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-methyl-, dihydrochloride
IUPAC: 3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride

Names & synonyms

3-Benzyl-9-methyl-3,9-diazabicyclo(3.3.1)nonane dihydrochloride101077-15-03,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-METHYL-, DIHYDROCHLORIDERefChem:272790DTXSID709059323-Benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/2)

Database identifiers

CAS: 101077-15-0
PubChem CID: 58175
DTXSID: DTXSID70905932

Properties

Computed structural properties

Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 233

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