AC1NQI6D structure

AC1NQI6D

dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium

Also Known As: Dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium|dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium|N,N-Dimethyl-3-oxo-N-[2-oxo-2-(2-phenoxyethoxy)ethyl]-3-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propan-1-aminium

CAS: 5276-85-7
Molecular Formula C25H38NO5+
Molecular Weight 432.275 g/mol
LogP 3.8331
Topological Polar Surface Area 61.83 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 432.275
Monoisotopic Mass 432.275
Heavy Atoms 31
Complexity 775.37683

Chemical Identifiers

CAS Number 5276-85-7
SMILES CC1(C2CCC1(C(C2)OC(=O)CC[N+](C)(C)CC(=O)OCCOC3=CC=CC=C3)C)C

Product Overview

AC1NQI6D (CAS 5276-85-7), with molecular formula C25H38NO5+ and molecular weight 432.275 g/mol. IUPAC: dimethyl-[2-oxo-2-(2-phenoxyethoxy)ethyl]-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]azanium.

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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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