Adamantane, 1-(2-(N-benzyl-N-methyl)aminopropyl)-, hydrochloride

HCID 35989

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Basic information

CAS: 31897-91-3
Standard SMILES: CC(CC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1.Cl
InChIKey: DULRAWOLASLZFF-UHFFFAOYSA-N
Molecular formula: C21H32ClN
Average molar mass: 333.9 g/mol
Monoisotopic mass: 333.2223277

Names & identifiers

Preferred name: Adamantane, 1-(2-(N-benzyl-N-methyl)aminopropyl)-, hydrochloride
IUPAC: 1-(1-adamantyl)-N-benzyl-N-methylpropan-2-amine;hydrochloride

Names & synonyms

31897-91-3ADAMANTANE, 1-(2-(N-BENZYL-N-METHYL)AMINOPROPYL)-, HYDROCHLORIDERefChem:10761622-Propylamine, 1-(1-adamantyl)-N-benzyl-N-methyl-, hydrochlorideDTXSID409538091-(Adamantan-1-yl)-N-benzyl-N-methylpropan-2-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 31897-91-3
PubChem CID: 35989
DTXSID: DTXSID40953809

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 340

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