AC1NXFJ0 structure

AC1NXFJ0

methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: methyl 4-({1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo(3-pyr rolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS: 797019-73-9
Molecular Formula C27H35N3O5
Molecular Weight 481.25766 g/mol
LogP 3.88016
Topological Polar Surface Area 102.94 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 481.25766
Monoisotopic Mass 481.25766
Heavy Atoms 35
Complexity 1142.3118

Chemical Identifiers

CAS Number 797019-73-9
SMILES CCN(CC)CCCN1C(/C(=C(/C2=C(NC(=C2C)C(=O)OC)C)\O)/C(=O)C1=O)C3=CC=C(C=C3)C

Product Overview

AC1NXFJ0 (CAS 797019-73-9), with molecular formula C27H35N3O5 and molecular weight 481.25766 g/mol. IUPAC: methyl 4-[(E)-[1-[3-(diethylamino)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

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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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