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111-57-9

111-57-9 structural image
Product Name: STEAROYL ETHANOLAMIDE
Formula: C20H41NO2
Synonyms: N-Stearoylethanolamine;NSE
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder; Liquid; Other Solid; Pellets or Large Crystals
Melting Point 98.5 °C
Collision Cross Section 198.93 Ų [M+H]+ [CCS Type: TIMS, Method: single field calibrated]
Kovats Retention Index 2347.1

COMPUTED DESCRIPTORS

Molecular Weight 327.5 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 18
Exact Mass 327.313729551 g/mol
Monoisotopic Mass 327.313729551 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 244
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

N-(octadecanoyl)ethanolamine is an N-acylethanolamine 18:0 that is the ethanolamide of octadecanoic acid. It is functionally related to an octadecanoic acid.