Benzylamine, 3,3'-methylenebis(N,N-dimethyl-4-methoxy-, dihydrochloride

HCID 22073

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Basic information

CAS: 5820-00-8
Standard SMILES: COc1ccc(C[NH+](C)C)cc1Cc1cc(C[NH+](C)C)ccc1OC.[Cl-].[Cl-]
InChIKey: OCHIRBAVHBKNDR-UHFFFAOYSA-N
Molecular formula: C21H32Cl2N2O2
Average molar mass: 415.4 g/mol
Monoisotopic mass: 414.1840837

Names & identifiers

Preferred name: Benzylamine, 3,3'-methylenebis(N,N-dimethyl-4-methoxy-, dihydrochloride
IUPAC: [3-[[5-[(dimethylazaniumyl)methyl]-2-methoxyphenyl]methyl]-4-methoxyphenyl]methyl-dimethylazanium dichloride

Names & synonyms

Bis-(5-dimethylaminomethyl-2-methoxyphenyl)methane dihydrochlorideBENZYLAMINE, 3,3'-METHYLENEBIS(N,N-DIMETHYL-4-METHOXY-, DIHYDROCHLORIDE5820-00-8RefChem:328770

Database identifiers

CAS: 5820-00-8
PubChem CID: 22073

Properties

Computed structural properties

Topological polar surface area: 27.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 341

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