107-43-7
Product Name:
Betaine
Formula:
C5H11NO2
Synonyms:
(Carboxymethyl)trimethylammonium inner salt;Betaine;Oxyneurine;TMG;Trimethylglycine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Deliquescent scales or prisms |
| Taste | Sweet |
| Melting Point | 301-305°C |
| Solubility | Soluble |
| Vapor Pressure | 0.00000053 [mmHg] |
| Dissociation Constants | 1.83 |
| Collision Cross Section | 121.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Isomerizes at the mp to methyl ester of dimethylaminoacetic acid; yields trimethylamine with concd KOH |
| Chemical Classes | Nitrogen Compounds -> Quaternary Amines |
COMPUTED DESCRIPTORS
| Molecular Weight | 117.15 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 117.078978594 g/mol |
| Monoisotopic Mass | 117.078978594 g/mol |
| Topological Polar Surface Area | 40.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 87.6 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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.