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Betaine

CAT: 0024-sc-214595Size: 50 gDry Ice: NoHazardous: No
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CAT#:0024-sc-214595Size:50 g
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CAS Number
107-43-7

Chemical Information

Betaine

Glycine betaine is the amino acid betaine derived from glycine. It has a role as a fundamental metabolite. It is an amino-acid betaine and a glycine derivative. It is a conjugate base of a N,N,N-trimethylglycinium.

CAS Number107-43-7
PubChem CID247
IUPAC Name2-(trimethylazaniumyl)acetate
Molecular FormulaC5H11NO2
Molecular Weight117.15
XLogP0.5
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
C[N+](C)(C)CC(=O)[O-]
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey
KWIUHFFTVRNATP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Betaine
CAS: 107-43-7
CID: 247
Formula: C5H11NO2
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass117.078978594
Monoisotopic Mass117.078978594
Topological Polar Surface Area40.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.6
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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Alternative Products

CatalogName
N1709-500000Betaine
85055-01Betaine (Glycine Betaine) pure, 98%
N1700-5.1Betaine hydrochloride
CS-T-103357Betaine-13C3
CS-T-103356Betaine-13C2

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