Carnitine chloride

C₇H₁₆ClNO₃CAS 461-05-2197.66 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Quaternary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation86.2% of notifiers
H319 Causes serious eye irritation86.2% of notifiers
H335 May cause respiratory irritation82.8% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

(-)-Carnitine541-15-1Parent compound, defined stereoisomer (±)-Carnitine461-06-3Parent compound (+)-Carnitine541-14-0Parent compound, defined stereoisomer L-(-)-Carnitine hydrochloride6645-46-1Defined stereoisomer (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-4Defined stereoisomer Carnitine tartrate36687-82-8Salt, defined stereoisomer L-Carnitine orotate160468-17-7Salt, defined stereoisomer L-Carnitine acid fumarate90471-79-7Salt, defined stereoisomer

Similar compounds

(±)-Acetylcarnitine chloride2504-11-255 % similar Acetyl L-carnitine hydrochloride5080-50-255 % similar Betaine chloride590-46-552 % similar Dromos119793-66-751 % similar Acetyl-DL-carnitine14992-62-248 % similar (3-Carboxypropyl)trimethylammonium chloride6249-56-546 % similar Trimethylglycine107-43-742 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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