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DL-Carnitine hydrochloride

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Name

DL-Carnitine hydrochloride

EINECS 207-309-1
CAS No. 461-05-2 Density N/A
PSA 57.53000 LogP -3.46780
Solubility Soluble in water Melting Point 197-199 °C
Formula C7H15NO3.HCl Boiling Point N/A
Molecular Weight 197.662 Flash Point N/A
Transport Information N/A Appearance Crystalline solid
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 461-05-2 (DL-Carnitine hydrochloride) Hazard Symbols IrritantXi
Synonyms

Carnitine, hydrochloride;DL-Carnitine chloride;d,l-Carnitinehydrochloride;1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (9CI);(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride;Aplegin;Bicarnesine;Carnitine chloride;

Article Data 14

DL-Carnitine hydrochloride Synthetic route

18933-33-0

(R,S)-carnitinenitrile chloride

A

461-05-2

dl-carnitine hydrochloride

B

5261-99-4

(+/-)-carnitinamide chloride

Conditions
ConditionsYield
With water; modified manganese dioxide containing vanadium at 60℃; for 2 - 3.5h; Product distribution / selectivity;A n/a
B 96.4%
With water; hydrogenchloride for 24h; Product distribution / selectivity;A n/a
B 78.1%
With water; manganese(IV) oxide at 60℃; for 18h; Product distribution / selectivity;
18933-33-0

(R,S)-carnitinenitrile chloride

461-05-2

dl-carnitine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride Heating;
Multi-step reaction with 2 steps
1: aq. HCl
2: H2 / PtO2 / aq. ethanol
View Scheme
6538-82-5

(3-carboxy-allyl)-trimethyl-ammonium; chloride

461-05-2

dl-carnitine hydrochloride

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In ethanol
56936-19-7

(3-tert-Butoxycarbonyl-2-hydroxy-propyl)-trimethyl-ammonium; chloride

461-05-2

dl-carnitine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride
74-88-4

methyl iodide

dl-γ-amino-β-oxy-butyric acid

dl-γ-amino-β-oxy-butyric acid

461-05-2

dl-carnitine hydrochloride

Conditions
ConditionsYield
With potassium hydroxide und folgenden Versetzung mit Salzsaeure;
(+-)-<3-cyano-2-hydroxy-propyl>-trimethyl-ammonium chloride

(+-)-<3-cyano-2-hydroxy-propyl>-trimethyl-ammonium chloride

HCl

HCl

461-05-2

dl-carnitine hydrochloride

Conditions
ConditionsYield
With ethanol Behandeln des Reaktionsprodukts mit wss.NH3;
461-05-2

dl-carnitine hydrochloride

5221-16-9

4-Chloro-2-methylphenoxyacetic acid potassium salt

(±)-carnitinium 4-chloro-2-methylphenoxyacetate

Conditions
ConditionsYield
In methanol at 60℃; for 2h;97%
461-05-2

dl-carnitine hydrochloride

mecoprop, potassium salt

(±)-carnitinium 2-(4-chloro-2-methylphenoxy)propionate

Conditions
ConditionsYield
In methanol at 60℃; for 2h;97%
10007-85-9

potassium 3,6-dichloro-2-methoxybenzoate

461-05-2

dl-carnitine hydrochloride

(±)-carnitinium 3,6-dichloro-2-methoxybenzoate

Conditions
ConditionsYield
In methanol at 60℃; for 2h;94%
461-05-2

dl-carnitine hydrochloride

14214-89-2

2,4-dichlorophenoxyacetic acid potassium

(±)-carnitinium 2,4-dichlorophenoxyacetate

Conditions
ConditionsYield
In methanol at 60℃; for 2h;91%

DL-Carnitine hydrochloride Production

C7H15NO3.HCl

DL-Carnitine hydrochloride Specification

The Carnitine chloride with the cas number 461-05-2, is also called (1)(+-)-Carnitine hydrochloride ; (2)(3-Carboxy-2-hydroxypropyl)trimethylammonium chloride Bicarnesine ; (3)Carnitine DL- HCl ; (4)Carnitine chloride ; (5)Monocamin ; (6)d,l-Carnitine hydrochloride ; (7)1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride; (8)1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) ; (9)Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride ; (10)Carnitine hydrochloride . It belongs to the following product categories: (1)Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives; (2)Ammonium Chlorides (Quaternary); (3)Quaternary Ammonium Compounds; (4)Amino Acids & Derivatives; (5)Intermediates & Fine Chemicals; (6)Isotope Labeled Compounds; (7)Pharmaceuticals and so on.

Propertes of Carnitine chloride: (1)ACD/LogP: -4.52 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -3.92 ; (4)ACD/LogD (pH 7.4): -3.92 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 5 ; (12)Polar Surface Area: 35.53 Å2

The Carnitine chloride is crystalline solid, with slight fishy smell. It is soluble in water, hardly insoluble in Diethyl ether and Acetone, easily become yellow when it is soggy. carnitine hemifumarate is a kind of important nutritional fortifiers and feed additives. Carnitine chloride currently is widely used in feed line, because it can improve the growth of pigs and improve chicken laying rate. the hatched efficiency of egg was increased by using it. It also has obvious effect on reducing fish fat.

The Carnitine chloride can react with propan-2-ol to get DL-carnitine isopropyl ester in HCl for 3 hour(s). Yield is 83 %.

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You can still convert the following datas into molecular structure :
1. SMILES: [Cl-].O=C(O)C[C@H](O)C[N+](C)(C)C
2. InChI: InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1

The Carnitine chloride toxic data can be showed in the following sheet.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 6gm/kg (6000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FLUID INTAKE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.
rat LD50 subcutaneous 10gm/kg (10000mg/kg)   Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.

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