Trimethylglycine

C5H11NO2CAS 107-43-7117.15 g/mol

Open in Covalent MOL file
N+OO−
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C5H11NO2
Molar mass
117.15 g/mol
Exact mass
117.0790 Da
Melting point
293 °C (decomposes)
logP
-1.56Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 303 ECHA notifiers. Aggregated from 303 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
107-43-7
SMILES
C[N+](C)(C)CC(=O)[O-]
InChIKey
KWIUHFFTVRNATP-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

35 names · show all
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt
  • Betaine
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt
  • Ammonium compounds, substituted, (carboxymethyl)trimethyl-, hydroxide, inner salt
  • α-Earleine
  • Glycine, trimethylbetaine
  • Glycine betaine
  • Glycocoll betaine
  • Lycine
  • Oxyneurine
  • Trimethylglycocoll
  • Glycylbetaine
  • (Carboxymethyl)trimethylammonium hydroxide inner salt
  • Abromine
  • Loramine AMB 13
  • Rubrine C
  • (Trimethylammonio)acetate
  • Aminocoat
  • N,N,N-Trimethylglycine
  • Aquadew AN 100
  • FinnStim
  • Betafin BCR
  • Greenstim
  • Betafin
  • Betafin BP
  • Cystadane
  • Betafin BP 20
  • Trimethylbetaine
  • Fencaijian
  • Bluestim
  • Auqadew AN 100
  • Genecare OSMS BA
  • Intracell
  • 2-(Trimethylazaniumyl)acetate
  • Genencare OSMS BA

Work with Trimethylglycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Betaine monohydrate590-47-6Hydrate Betaine monohydrate17146-86-0Hydrate Betaine chloride590-46-5Salt

Similar compounds

(3-Carboxypropyl)trimethylammonium chloride6249-56-548 % similar (±)-Carnitine461-06-347 % similar (+)-Carnitine541-14-047 % similar (-)-Carnitine541-15-147 % similar Lauryldimethylaminoacetic acid betaine683-10-344 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-442 % similar Carnitine chloride461-05-242 % similar L-(-)-Carnitine hydrochloride6645-46-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamyl nitrite110-46-3 (3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol1240390-32-2 (R)-2-Hydroxymethylmorpholine156925-22-3 N,N-Dimethyl-1,3-dioxolan-2-amine19449-26-4 D-Norvaline2013-12-9 trans-4-Aminotetrahydropyran-3-ol215940-92-4 Alpha-(Methylamino)isobutyric acid2566-34-9 D-Isovaline3059-97-0

Elsewhere

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