Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, alpha-hexyl-2-(methylamino)-, hydrochloride

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Basic information

CAS: 108736-84-1
Standard SMILES: CCCCCCC(O)CC1(NC)C2CC3CC(C2)CC1C3.Cl
InChIKey: XJYCJHHAONMHKR-UHFFFAOYSA-N
Molecular formula: C19H36ClNO
Average molar mass: 329.9 g/mol
Monoisotopic mass: 329.2485425

Names & identifiers

Preferred name: Tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, alpha-hexyl-2-(methylamino)-, hydrochloride
IUPAC: 1-[2-(methylamino)-2-adamantyl]octan-2-ol;hydrochloride

Names & synonyms

alpha-Hexyl-2-(methylamino)tricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride108736-84-12-Methylamino-2-(2'-hydroxy-2'-n-hexylethyl)tricyclo(3.3.1.1(sup 3,7))decane hydrochlorideTricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, alpha-hexyl-2-(methylamino)-, hydrochlorideRefChem:385984DTXSID609108531-[2-(Methylamino)adamantan-2-yl]octan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 108736-84-1
PubChem CID: 3065754
DTXSID: DTXSID60910853

Properties

Computed structural properties

Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 312

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Compound notes

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