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544-31-0

544-31-0 structural image
Product Name: Palmitoylethanolamide
Formula: C18H37NO2
Synonyms: N-(2-Hydroxyethyl)hexadecanamide;N-(2-Hydroxyethyl)hexadecanamide, PEA, Palmidrol;Palmidrol;Palmitoylethanolamide - CAS 544-31-0 - Calbiochem;PEA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Other Solid
Melting Point 98.5 °C
Collision Cross Section 189.03 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
Kovats Retention Index 2140.5
Chemical Classes Lipids -> Unambiguous Lipids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Environment
GHS09
GHS Hazard Statements H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 299.5 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 16
Exact Mass 299.282429423 g/mol
Monoisotopic Mass 299.282429423 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 219
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Palmitoyl ethanolamide is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid. It has a role as an anti-inflammatory drug, an antihypertensive agent, a neuroprotective agent and an anticonvulsant. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid and a N-(saturated fatty acyl)ethanolamine. It is functionally related to a hexadecanoic acid.

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