ITA 432

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

CAS: 82058-29-5

Molecular Formula	`C35H35N3O2`
Molecular Weight	529.7 g/mol
LogP	5.3
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	529.27295
Heavy Atoms	40
Complexity	868.0

Chemical Identifiers

CAS Number	82058-29-5
SMILES	`CCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)(C2=O)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6`
InChIKey	`KGWHPLGFLUSYBT-UHFFFAOYSA-N`

📖 Product Overview

ITA 432 (CAS: 82058-29-5) is a chemical compound with molecular formula C35H35N3O2 and molecular weight 529.7 g/mol. Its IUPAC systematic name is N-ethyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide. LogP 5.3 Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 529.27295 Heavy Atoms 40 Complexity 868.0 InChI Key: KGWHPLGFLUSYBT-UHFFFAOYSA-N. SMILES: CCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)(C2=O)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.

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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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