DL-Carnitine supplier | CasNO.406-76-8

Name
DL-Carnitine
EINECS 206-976-6
CAS No. 406-76-8
Article Data11
CAS DataBase
Density
Solubility
Melting Point 197-198 °C (decomp)
Formula C₇H₁₅NO₃
Boiling Point
Molecular Weight 161.201
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Carnitine;3-Hydroxy-4-(trimethylammonio)butanoate;3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium Hydroxide Inner Salt;
PSA 60.36000
LogP -1.80650

DL-Carnitine Specification

The CAS register number of DL-Carnitine is 406-76-8. It also can be called as Carnitine DL-form and the IUPAC name about this chemical is 3-hydroxy-4-(trimethylazaniumyl)butanoate. The molecular formula about this chemical is C₇H₁₅NO₃ and the molecular weight is 161.20.

Physical properties about DL-Carnitine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 60.36Å².

Preparation: this chemical can be prepared by (R)-Carnitine nitrile chloride at heating. This reaction will need reagent aq. HCl.

Uses of DL-Carnitine: it can be used to produce (R)-3-Hydroxy-4-butanolide at temperature of 150 ℃. This reaction will need solvent dimethylsulfoxide with reaction time of 1 hours. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: C[N+](C)(C)CC(CC(=O)[O-])O
(2)InChI: InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
(3)InChIKey: PHIQHXFUZVPYII-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
(5)Std. InChIKey: PHIQHXFUZVPYII-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	610mg/kg (610mg/kg)		British UK Patent Application. Vol. #2008578,
mouse	LD50	subcutaneous	11500mg/kg (11500mg/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	intravenous	995mg/kg (995mg/kg)		British UK Patent Application. Vol. #2008578,
rat	LD50	subcutaneous	13500mg/kg (13500mg/kg)		Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.

Product Name

DL-Carnitine

DL-Carnitine Specification

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