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

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Basic information

CAS: 108736-89-6
Standard SMILES: CCCCCCCCCCCCCCC(O)CC1(NC)C2CC3CC(C2)CC1C3.Cl
InChIKey: LTKUIDBPDGIYIW-UHFFFAOYSA-N
Molecular formula: C27H52ClNO
Average molar mass: 442.2 g/mol
Monoisotopic mass: 441.373743

Names & identifiers

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

Names & synonyms

2-(Methylamino)-alpha-tetradecyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride108736-89-62-Methylamino-2-(2'-hydroxy-2'-n-tetradecylethyl)tricyclo(3.3.1.1(sup 3,7))decane HClTricyclo(3.3.1.1(sup 3,7))decane-2-ethanol, 2-(methylamino)-alpha-tetradecyl-, hydrochlorideRefChem:385980DTXSID609108581-[2-(Methylamino)adamantan-2-yl]hexadecan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 108736-89-6
PubChem CID: 3065764
DTXSID: DTXSID60910858

Properties

Computed structural properties

Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 16
Heavy atoms: 30
Formal charge: 0
Complexity: 420

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Compound notes

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