chempirical

Betaine chloride

C5H12ClNO2CAS 590-46-5153.61 g/mol

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

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Melting point
241–242 °C
logP
-1.14Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 164 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317

Identifiers

CAS number
590-46-5
SMILES
C[N+](C)(C)CC(=O)[O-].Cl
InChIKey
HOPSCVCBEOCPJZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H

Weigh it out

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

Names and synonyms

20 names · show all
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1)
  • Betaine, hydrochloride
  • Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride
  • Pluchine
  • Acidine
  • Acidol
  • Acidol hydrochloride
  • Acidin
  • Glycocoll betaine hydrochloride
  • Achylin
  • Acidogeno
  • Acinorm
  • Acipepsol
  • Aciventral forte
  • (Carboxymethyl)trimethylammonium chloride
  • Glycine betaine hydrochloride
  • Rubrine C hydrochloride
  • 1-Carboxy-N,N,N-trimethylmethanaminium chloride
  • Trimethylglycine hydrochloride
  • Trimethylglycine hydrochloride salt

Work with Betaine chloride

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 Trimethylglycine107-43-7Parent compound

Similar compounds

(3-Carboxypropyl)trimethylammonium chloride6249-56-559 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-452 % similar Carnitine chloride461-05-252 % similar L-(-)-Carnitine hydrochloride6645-46-152 % similar (±)-Acetylcarnitine chloride2504-11-246 % similar Acetyl L-carnitine hydrochloride5080-50-246 % similar Girard-T reagent123-46-645 % similar Dromos119793-66-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9

Elsewhere

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