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

HCID 60460

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Basic information

CAS: 110684-98-5
Standard SMILES: [Cl-].[Cl-].[NH3+]c1ccc(OCCCCCCCCCOc2ccc([NH3+])cc2)cc1
InChIKey: HPGDFSDTPKGKOK-UHFFFAOYSA-N
Molecular formula: C21H32Cl2N2O2
Average molar mass: 415.4 g/mol
Monoisotopic mass: 414.1840837

Names & identifiers

Preferred name: Aniline, 4,4'-(nonamethylenedioxy)di-, dihydrochloride
IUPAC: [4-[9-(4-azaniumylphenoxy)nonoxy]phenyl]azanium dichloride

Names & synonyms

110684-98-5ANILINE, 4,4'-(NONAMETHYLENEDIOXY)DI-, DIHYDROCHLORIDE4,4'-(Nonamethylenedioxy)dianiline dihydrochlorideM & B 2524RefChem:319603[4-[9-(4-azaniumylphenoxy)nonoxy]phenyl]azanium;dichloride

Database identifiers

CAS: 110684-98-5
PubChem CID: 60460

Properties

Computed structural properties

Topological polar surface area: 73.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 27
Formal charge: 0
Complexity: 281

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