AC1MI3TI structure

AC1MI3TI

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

Also Known As: 5-Norbornene-2,3-dicarboximide, 5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-N-isopropyl-7-(alpha-2-pyridylbenzylidene)-, endo-|4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-2-(1-methylethyl)-8-(phenyl-2-pyridinylmethylene)-

CAS: 4634-52-0
Molecular Formula C36H31N3O3
Molecular Weight 553.2366 g/mol
LogP 4.1
Topological Polar Surface Area 83.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 553.2366
Monoisotopic Mass 553.2366
Heavy Atoms 42
Complexity 1120.0

Chemical Identifiers

CAS Number 4634-52-0
SMILES CC(C)N1C(=O)C2C3C=C(C(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O
InChIKey WZHPHQUPSBHCAI-UHFFFAOYSA-N

Product Overview

AC1MI3TI (CAS 4634-52-0), with molecular formula C36H31N3O3 and molecular weight 553.2366 g/mol. IUPAC: 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-propan-2-yl-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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