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Acetylcolamine

CAT: 1299-RG-A262507-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262507-02Size:25 mg
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CAS Number
142-26-7
Synonyms
N- (2-hydroxyethyl) acetamide
Molecular Formula
C4H9NO2
Molecular Weight
103.12
Product Name Synonym
N- (2-hydroxyethyl) acetamide

Chemical Information

Acetylethanolamine

N-acetylethanolamine is a member of the class of ethanolamines that is 2-aminoethanol in which one of the hydrogens of the amino group is replaced by an acetyl group. It has a role as a metabolite. It is a member of acetamides, a member of ethanolamines and a monocarboxylic acid amide.

CAS Number142-26-7
PubChem CID8880
IUPAC NameN-(2-hydroxyethyl)acetamide
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-1.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
CC(=O)NCCO
InChI
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKey
PVCJKHHOXFKFRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylethanolamine
CAS: 142-26-7
CID: 8880
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass103.063328530
Monoisotopic Mass103.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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