Benzamidine, N-(2-diethylaminoethyl)-4-ethoxy-, dihydrochloride, hydrate

HCID 44241

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Basic information

CAS: 62979-88-8
Standard SMILES: CCOc1ccc(C(N)=[NH+]CC[NH+](CC)CC)cc1.[Cl-].[Cl-]
InChIKey: UNFAYOGDDWKXTG-UHFFFAOYSA-N
Molecular formula: C15H27Cl2N3O
Average molar mass: 336.3 g/mol
Monoisotopic mass: 335.1531179

Names & identifiers

Preferred name: Benzamidine, N-(2-diethylaminoethyl)-4-ethoxy-, dihydrochloride, hydrate
IUPAC: 2-[amino-(4-ethoxyphenyl)methylidene]azaniumylethyl-diethylazanium dichloride

Names & synonyms

PPR 515N-(2-Diethylaminoethyl)-4-ethoxybenzamidine dihydrochloride hydrateBENZAMIDINE, N-(2-DIETHYLAMINOETHYL)-4-ETHOXY-, DIHYDROCHLORIDE, HYDRATEBenzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-ethoxy-, dihydrochloride, hydrate62979-88-8RefChem:322646Benzenecarboximidamide, N-(2-(diethylamino)ethyl)-4-ethoxy-, dihydrochloride, hydrate (9CI)

Database identifiers

CAS: 62979-88-8
PubChem CID: 44241

Properties

Computed structural properties

Topological polar surface area: 53.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 256

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