Alkaloids/Alfa Chemistry
Betaine

Betaine

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Catalog Number ACM107437
CAS Number 107-43-7
Structure
Synonyms Oxyneurine
IUPAC Name 2-(Trimethylazaniumyl)acetate
Molecular Weight 117.15
Molecular Formula C5H11NO2
Canonical SMILES C[N+](C)(C)CC(=O)[O-]
InChI InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI Key KWIUHFFTVRNATP-UHFFFAOYSA-N
Boiling Point 218.95 °C
Melting Point 310 °C
Purity 98%
Density 1.00 g/mL at 20 °C
Solubility Slightly soluble in chloroform
Appearance Liquid
Storage 2-8 °C
Complexity 87.6
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Exact Mass 117.078978594
Heavy Atom Count 8
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Monoisotopic Mass 117.078978594
PhysicalState Powder
Rotatable Bond Count 1
Topological Polar Surface Area 40.1 Ų

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