chempirical

Carnitine chloride

C7H16ClNO3CAS 461-05-2197.66 g/mol

Open in Covalent MOL file
N+OHOO−HCl
AlcoholCarboxylic acidQuaternary ammonium

Properties

Molecular formula
C7H16ClNO3
Molar mass
197.66 g/mol
Exact mass
197.0819 Da
Melting point
137–139 °C
logP
-1.38Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
461-05-2
SMILES
C[N+](C)(C)CC(O)CC(=O)[O-].Cl
InChIKey
JXXCENBLGFBQJM-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H

Weigh it out

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

Names and synonyms

15 names · show all
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (±)-
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (±)-
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride
  • Bicarnesine
  • DL-Carnitine hydrochloride
  • (±)-Carnitine chloride
  • (±)-Carnitine hydrochloride
  • DL-Carnitine chloride
  • d,l-Carnitine hydrochloride
  • Carnitine, hydrochloride
  • Monocamin
  • (3-Carboxy-2-hydroxypropyl)trimethylammonium chloride
  • Aplegin
  • (3-Carboxy-2-hydroxypropyl)trimethylazanium chloride

Work with Carnitine 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

Similar compounds

(±)-Carnitine461-06-390 % similar (+)-Carnitine541-14-090 % similar (-)-Carnitine541-15-190 % similar Carnitine tartrate36687-82-862 % similar (±)-Acetylcarnitine chloride2504-11-255 % similar Acetyl L-carnitine hydrochloride5080-50-255 % similar L-Carnitine orotate160468-17-754 % similar Betaine chloride590-46-552 % similar

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

Same formula

(S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-4 L-(-)-Carnitine hydrochloride6645-46-1

Elsewhere

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