Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride

HCID 56897

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Basic information

CAS: 95429-20-2
Standard SMILES: [Cl-].[Cl-].[NH3+]c1ccc(OCCCCCCCOc2ccc([NH3+])cc2)cc1
InChIKey: BHLHSYYTCNTEOZ-UHFFFAOYSA-N
Molecular formula: C19H28Cl2N2O2
Average molar mass: 387.3 g/mol
Monoisotopic mass: 386.1527835

Names & identifiers

Preferred name: Aniline, 4,4'-(heptamethylenedioxy)di-, dihydrochloride
IUPAC: [4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium dichloride

Names & synonyms

ANILINE, 4,4'-(HEPTAMETHYLENEDIOXY)DI-, DIHYDROCHLORIDE95429-20-24,4'-(Heptamethylenedioxy)dianiline dihydrochlorideM & B 2539RefChem:319599[4-[7-(4-azaniumylphenoxy)heptoxy]phenyl]azanium;dichloride

Database identifiers

CAS: 95429-20-2
PubChem CID: 56897

Properties

Computed structural properties

Topological polar surface area: 73.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 25
Formal charge: 0
Complexity: 257

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