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Benzamidine, N-(p-(2-morpholinoethoxy)phenyl)-N'-phenyl-, dihydrobromide

HCID 54642
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Basic information

CAS
80785-04-2
Standard SMILES
[Br-].[Br-].c1ccc(NC(=[NH+]c2ccc(OCC[NH+]3CCOCC3)cc2)c2ccccc2)cc1
InChIKey
SOCGMUBWLBDZTA-UHFFFAOYSA-N
Molecular formula
C25H29Br2N3O2
Average molar mass
563.3 g/mol
Monoisotopic mass
561.06265

Names & identifiers

Preferred name
Benzamidine, N-(p-(2-morpholinoethoxy)phenyl)-N'-phenyl-, dihydrobromide
IUPAC
[anilino(phenyl)methylidene]-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]azanium dibromide

Names & synonyms

80785-04-2N-(p-(2-Morpholinoethoxy)phenyl)-N'-phenyl-benzamidine dihydrobromideBENZAMIDINE, N-(p-(2-MORPHOLINOETHOXY)PHENYL)-N'-PHENYL-, DIHYDROBROMIDERefChem:322673

Database identifiers

CAS
80785-04-2
PubChem CID
54642

Properties

Computed structural properties

Topological polar surface area
48.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
501

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