Aniline, N-(6-diethylaminohexyl)-4-methyl-3-phenyl-, dioxalate, monohydrate

diethyl-[6-[(4-methyl-3-phenylphenyl)azaniumyl]hexyl]azanium;bis(2-hydroxy-2-oxoacetate)

CAS: 20092-25-5

Molecular Formula	`C27H38N2O8`
Molecular Weight	518.6 g/mol
Topological Polar Surface Area	176.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	518.2628
Heavy Atoms	37
Complexity	398.0

Chemical Identifiers

CAS Number	20092-25-5
SMILES	`CC[NH+](CC)CCCCCC[NH2+]C1=CC(=C(C=C1)C)C2=CC=CC=C2.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O`
InChIKey	`CBRXGLFZPZJXNR-UHFFFAOYSA-N`

📖 Product Overview

Aniline, N-(6-diethylaminohexyl)-4-methyl-3-phenyl-, dioxalate, monohydrate (CAS: 20092-25-5) is a chemical compound with molecular formula C27H38N2O8 and molecular weight 518.6 g/mol. Its IUPAC systematic name is diethyl-[6-[(4-methyl-3-phenylphenyl)azaniumyl]hexyl]azanium;bis(2-hydroxy-2-oxoacetate). Topological Polar Surface Area 176.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 518.2628 Heavy Atoms 37 Complexity 398.0 InChI Key: CBRXGLFZPZJXNR-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCCCCC[NH2+]C1=CC(=C(C=C1)C)C2=CC=CC=C2.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.

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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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