ITA 471

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

CAS: 82058-39-7

Molecular Formula	`C38H41N3O6`
Molecular Weight	635.7 g/mol
LogP	4.8
Topological Polar Surface Area	98.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	635.29956
Heavy Atoms	47
Complexity	945.0

Chemical Identifiers

CAS Number	82058-39-7
SMILES	`CCNC(=O)N1C(C2C(NC(C(C1C3=CC=C(C=C3)OC)C2=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC`
InChIKey	`XHYLCUXDQNYRPI-UHFFFAOYSA-N`

📖 Product Overview

ITA 471 (CAS: 82058-39-7) is a chemical compound with molecular formula C38H41N3O6 and molecular weight 635.7 g/mol. Its IUPAC systematic name is N-ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide. LogP 4.8 Topological Polar Surface Area 98.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 635.29956 Heavy Atoms 47 Complexity 945.0 InChI Key: XHYLCUXDQNYRPI-UHFFFAOYSA-N. SMILES: CCNC(=O)N1C(C2C(NC(C(C1C3=CC=C(C=C3)OC)C2=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC.

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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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