(±)-Acetylcarnitine chloride

C₉H₁₈ClNO₄CAS 2504-11-2239.70 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Quaternary ammonium

Properties

Molecular formula: C₉H₁₈ClNO₄
Molar mass: 239.70 g/mol
Exact mass: 239.0924 Da
logP: -0.81Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

2504-11-2

SMILES

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.Cl

InChIKey

JATPLOXBFFRHDN-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H

Weigh it out

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

Names and synonyms

6 names

1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride (1:1)
Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, acetate, (±)-
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (±)-
1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride
Acetyl dl-carnitine chloride
(+-)-Acetylcarnitine chloride

Work with (±)-Acetylcarnitine 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.

Acetyl L-carnitine hydrochloride5080-50-2Defined stereoisomer

Similar compounds

Dromos119793-66-768 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-455 % similar Carnitine chloride461-05-255 % similar L-(-)-Carnitine hydrochloride6645-46-155 % similar (±)-Carnitine461-06-348 % similar (+)-Carnitine541-14-048 % similar (-)-Carnitine541-15-148 % similar Betaine chloride590-46-546 % similar

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

Same formula

Diethyl L-glutamate hydrochloride1118-89-4 H-Asp(OtBu)-OMe.HCl2673-19-0

Elsewhere

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