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Choline

CAT: 0931-T8734Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T8734Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123-41-1
Target
Others
Related Pathways
Others
Purity
0.9997
Bioactivity
Choline is a ubiquitous water soluble nutrient, often associated with the B vitamins
Smiles
[OH-].C[N+](C)(C)CCO
Molecular Formula
C5H15NO2
Molecular Weight
121.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Choline, hydroxide

See also: Choline (has active moiety).

CAS Number123-41-1
PubChem CID31255
IUPAC Name2-hydroxyethyl(trimethyl)azanium hydroxide
Molecular FormulaC5H15NO2
Molecular Weight121.18
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
C[N+](C)(C)CCO.[OH-]
InChI
InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Choline, hydroxide
CAS: 123-41-1
CID: 31255
Formula: C5H15NO2
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass121.110278721
Monoisotopic Mass121.110278721
Topological Polar Surface Area21.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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