CAS No.461-05-2,DL-Carnitine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	461-05-2
Name:	DL-Carnitine hydrochloride
Article Data:	14

Formula:	C₇H₁₅NO₃.HCl
Molecular Weight:	197.662
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;
EINECS:	207-309-1
Melting Point:	197-199 °C
Solubility:	Soluble in water
Appearance:	Crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	57.53000
LogP:	-3.46780

Synthetic route

: 18933-33-0
(R,S)-carnitinenitrile chloride

A: 461-05-2
dl-carnitine hydrochloride

B: 5261-99-4
(+/-)-carnitinamide chloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In methanol at 60℃; for 2h;	97%

: 461-05-2
dl-carnitine hydrochloride

: mecoprop, potassium salt

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

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

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Production

C₇H₁₅NO₃.HCl

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.