Aniline, 4,4'-(hexamethylenedioxy)bis(N,N-dimethyl-, hydrochloride

HCID 60643

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Basic information

CAS: 114932-08-0
Standard SMILES: CN(C)c1ccc(OCCCCCCOc2ccc([NH+](C)C)cc2)cc1.[Cl-]
InChIKey: JCEGQLBFXMJRSX-UHFFFAOYSA-N
Molecular formula: C22H33ClN2O2
Average molar mass: 393 g/mol
Monoisotopic mass: 392.223056

Names & identifiers

Preferred name: Aniline, 4,4'-(hexamethylenedioxy)bis(N,N-dimethyl-, hydrochloride
IUPAC: [4-[6-[4-(dimethylamino)phenoxy]hexoxy]phenyl]-dimethylazanium chloride

Names & synonyms

4,4'-(Hexamethylenedioxy)bis(N,N-dimethylaniline) hydrochloride114932-08-0ANILINE, 4,4'-(HEXAMETHYLENEDIOXY)BIS(N,N-DIMETHYL-, HYDROCHLORIDERefChem:319600

Database identifiers

CAS: 114932-08-0
PubChem CID: 60643

Properties

Computed structural properties

Topological polar surface area: 26.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 27
Formal charge: 0
Complexity: 346

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