ITA 476

2,4,6,8-tetrakis(4-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

CAS: 82058-43-3

Molecular Formula	`C34H29Cl4N3O2`
Molecular Weight	653.4 g/mol
LogP	7.4
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	653.09845
Heavy Atoms	43
Complexity	891.0

Chemical Identifiers

CAS Number	82058-43-3
SMILES	`CCNC(=O)N1C(C2C(NC(C(C1C3=CC=C(C=C3)Cl)C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl`
InChIKey	`KSSKVLAGUBUECK-UHFFFAOYSA-N`

📖 Product Overview

ITA 476 (CAS: 82058-43-3) is a chemical compound with molecular formula C34H29Cl4N3O2 and molecular weight 653.4 g/mol. Its IUPAC systematic name is 2,4,6,8-tetrakis(4-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide. LogP 7.4 Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 653.09845 Heavy Atoms 43 Complexity 891.0 InChI Key: KSSKVLAGUBUECK-UHFFFAOYSA-N. SMILES: CCNC(=O)N1C(C2C(NC(C(C1C3=CC=C(C=C3)Cl)C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)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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