Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride

3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride

CAS: 80785-15-5

Molecular Formula	`C28H36Cl3N3O`
Molecular Weight	537.0 g/mol
Topological Polar Surface Area	39.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	11
Exact Mass	535.1924
Heavy Atoms	35
Complexity	551.0

Chemical Identifiers

CAS Number	80785-15-5
SMILES	`CC(C)[NH+](CCCOC1=CC=C(C=C1)NC(=[NH+]C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-]`
InChIKey	`NEKKHMXCNVYYFL-UHFFFAOYSA-N`

📖 Product Overview

Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride (CAS: 80785-15-5) is a chemical compound with molecular formula C28H36Cl3N3O and molecular weight 537.0 g/mol. Its IUPAC systematic name is 3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride. Topological Polar Surface Area 39.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 11 Exact Mass 535.1924 Heavy Atoms 35 Complexity 551.0 InChI Key: NEKKHMXCNVYYFL-UHFFFAOYSA-N. SMILES: CC(C)[NH+](CCCOC1=CC=C(C=C1)NC(=[NH+]C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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