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

HCID 60645

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Basic information

CAS: 114946-90-6
Standard SMILES: CN(C)c1ccc(OCCCCCOc2ccc([NH+](C)C)cc2)cc1.[Cl-]
InChIKey: RHPGSBSEXBKSAZ-UHFFFAOYSA-N
Molecular formula: C21H31ClN2O2
Average molar mass: 378.9 g/mol
Monoisotopic mass: 378.2074059

Names & identifiers

Preferred name: Aniline, 4,4'-(pentamethylenedioxy)bis(N,N-dimethyl-, hydrochloride
IUPAC: [4-[5-[4-(dimethylamino)phenoxy]pentoxy]phenyl]-dimethylazanium chloride

Names & synonyms

4,4'-(Pentamethylenedioxy)bis(N,N-dimethylaniline) hydrochloride114946-90-6ANILINE, 4,4'-(PENTAMETHYLENEDIOXY)BIS(N,N-DIMETHYL-, HYDROCHLORIDERefChem:319606

Database identifiers

CAS: 114946-90-6
PubChem CID: 60645

Properties

Computed structural properties

Topological polar surface area: 26.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 333

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