Benzyl alcohol, 4-(2-(dimethylamino)ethoxy)-alpha-(4-(2-(dimethylamino)ethoxy)phenyl)-alpha-(2-(dimethylamino)-1-methylethyl)-, trihydrochloride

HCID 39247

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 42739-92-4
Standard SMILES: CC(C[NH+](C)C)C(O)(c1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC[NH+](C)C)cc1.[Cl-].[Cl-].[Cl-]
InChIKey: LVJBCKCOZVCOSD-UHFFFAOYSA-N
Molecular formula: C26H44Cl3N3O3
Average molar mass: 553 g/mol
Monoisotopic mass: 551.244825

Names & identifiers

Preferred name: Benzyl alcohol, 4-(2-(dimethylamino)ethoxy)-alpha-(4-(2-(dimethylamino)ethoxy)phenyl)-alpha-(2-(dimethylamino)-1-methylethyl)-, trihydrochloride
IUPAC: [3,3-bis[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-3-hydroxy-2-methylpropyl]-dimethylazanium trichloride

Names & synonyms

42739-92-4Benzyl alcohol, 4-(2-(dimethylamino)ethoxy)-alpha-(4-(2-(dimethylamino)ethoxy)phenyl)-alpha-(2-(dimethylamino)-1-methylethyl)-, trihydrochlorideRefChem:328551

Database identifiers

CAS: 42739-92-4
PubChem CID: 39247

Properties

Computed structural properties

Topological polar surface area: 52 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 35
Formal charge: 0
Complexity: 465

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…