ITA 429

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

CAS: 82058-26-2

Molecular Formula	`C36H37N3O2`
Molecular Weight	543.7 g/mol
LogP	5.8
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	543.2886
Heavy Atoms	41
Complexity	797.0

Chemical Identifiers

CAS Number	82058-26-2
SMILES	`CCCCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6`
InChIKey	`KCJLMPALOLQKKS-UHFFFAOYSA-N`

📖 Product Overview

ITA 429 (CAS: 82058-26-2) is a chemical compound with molecular formula C36H37N3O2 and molecular weight 543.7 g/mol. Its IUPAC systematic name is N-butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide. LogP 5.8 Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 543.2886 Heavy Atoms 41 Complexity 797.0 InChI Key: KCJLMPALOLQKKS-UHFFFAOYSA-N. SMILES: CCCCNC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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