AC1MI3TC structure

AC1MI3TC

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-2,4-dimethyl-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Also Known As: 5-Norbornene-2,3-dicarboximide, N,2-dimethyl-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, endo,exo-|5-Norbornene-2,3-dicarboximide, 5-(.alpha.-hydroxy-.alpha.-2-pyridylbenzyl)-N,2-dimethyl-7-(.alpha.-2-pyridylbenzylidene)-

CAS: 4634-50-8
Molecular Formula C35H29N3O3
Molecular Weight 539.2209 g/mol
LogP 3.6
Topological Polar Surface Area 83.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 539.2209
Monoisotopic Mass 539.2209
Heavy Atoms 41
Complexity 1120.0

Chemical Identifiers

CAS Number 4634-50-8
SMILES CC12C3C=C(C(C1C(=O)N(C2=O)C)C3=C(C4=CC=CC=C4)C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O
InChIKey IGWXHJXUOXEFAE-UHFFFAOYSA-N

Product Overview

AC1MI3TC (CAS 4634-50-8), with molecular formula C35H29N3O3 and molecular weight 539.2209 g/mol. IUPAC: 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-2,4-dimethyl-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

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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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