Benzamidine, N-(2-dimethylaminoethyl)-4-methoxy-, dihydrochloride

HCID 48853

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Basic information

CAS: 67011-47-6
Standard SMILES: COc1ccc(C(N)=[NH+]CC[NH+](C)C)cc1.[Cl-].[Cl-]
InChIKey: VPHQVLOUWNESOU-UHFFFAOYSA-N
Molecular formula: C12H21Cl2N3O
Average molar mass: 294.22 g/mol
Monoisotopic mass: 293.1061677

Names & identifiers

Preferred name: Benzamidine, N-(2-dimethylaminoethyl)-4-methoxy-, dihydrochloride
IUPAC: 2-[amino-(4-methoxyphenyl)methylidene]azaniumylethyl-dimethylazanium dichloride

Names & synonyms

N-(2-Dimethylaminoethyl)-4-methoxybenzamidine dihydrochloride67011-47-6BENZAMIDINE, N-(2-DIMETHYLAMINOETHYL)-4-METHOXY-, DIHYDROCHLORIDERefChem:322653

Database identifiers

CAS: 67011-47-6
PubChem CID: 48853

Properties

Computed structural properties

Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 220

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