ITA 435

N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

CAS: 82058-32-0

Molecular Formula	`C39H41N3O2`
Molecular Weight	583.8 g/mol
LogP	6.7
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	583.3199
Heavy Atoms	44
Complexity	970.0

Chemical Identifiers

CAS Number	82058-32-0
SMILES	`CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=O)NC4CCCCC4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7`
InChIKey	`QARQMLRJUWCFKC-UHFFFAOYSA-N`

📖 Product Overview

ITA 435 (CAS: 82058-32-0) is a chemical compound with molecular formula C39H41N3O2 and molecular weight 583.8 g/mol. Its IUPAC systematic name is N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide. LogP 6.7 Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 583.3199 Heavy Atoms 44 Complexity 970.0 InChI Key: QARQMLRJUWCFKC-UHFFFAOYSA-N. SMILES: CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=O)NC4CCCCC4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.

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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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