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Choline

CAT: 0127-OR1028613Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
62-49-7
Synonyms
2-hydroxyethyl (trimethyl) azanium
Purity
90%
Smiles
C([N+](C)(C)C)CO

Chemical Information

Choline

Choline is a choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. It has a role as a neurotransmitter, a nutrient, an allergen, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite and a Daphnia magna metabolite.

CAS Number62-49-7
PubChem CID305
IUPAC Name2-hydroxyethyl(trimethyl)azanium
Molecular FormulaC5H14NO+
Molecular Weight104.17
XLogP-0.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge1
Complexity46
SMILES
C[N+](C)(C)CCO
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Choline
CAS: 62-49-7
CID: 305
Formula: C5H14NO+
MW: 104.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.17
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass104.107539070
Monoisotopic Mass104.107539070
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge1
Complexity46.5
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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