2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate structure

2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate

2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate

Also Known As: Decanoylcarnitine|Sodium nitroprusside|2- -3-oxododecanoate|3-decanoyloxy-4-(trimethylazaniumyl)butanoate|2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate|2-(1-HYDROXY-2-TRIMETHYLAZANIUMYLETHYL)-3-OXODODECANOATE|1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt

CAS: 3992-45-8
Molecular Formula C17H33NO4
Molecular Weight 315.24097 g/mol
LogP 3.8
Topological Polar Surface Area 77.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 12
Exact Mass 315.24097
Monoisotopic Mass 315.24097
Heavy Atoms 22
Complexity 331.0

Chemical Identifiers

CAS Number 3992-45-8
SMILES CCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]
InChIKey QDFUGZFFTZZWFP-UHFFFAOYSA-N

Product Overview

2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate (CAS 3992-45-8), with molecular formula C17H33NO4 and molecular weight 315.24097 g/mol. IUPAC: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate.

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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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2-[1-Hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxododecanoate is a custom synthesis product. We offer services from milligram to kilogram scale.

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