CAS No.541-14-0,D(+)-Carnitine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	541-14-0
Name:	D(+)-Carnitine
Article Data:	11

Formula:	C₇H₁₅NO₃
Molecular Weight:	161.201
Synonyms:	1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (S)-;Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-,hydroxide, inner salt, D- (8CI);(+)-Carnitine;(+)-D-Carnitine;D-(+)-Carnitine;D-Carnitine;(3S)-3-Hydroxy-4-(trimethylammonio)butanoate;D-(3-Carboxy-2-hydroxypropyl)trimethylammoniumhydroxide;
Density:	1.1587 (rough estimate)
Melting Point:	197 °C
Boiling Point:	287.5°C (rough estimate)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	60.36000
LogP:	-1.80650

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Specification

The 1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2S)-, with the CAS registry number 3469-20-3, is also known as D(+)-Carnitine. It belongs to the product category of chiral. This chemical's molecular formula is C₇H₁₅NO₃ and molecular weight is 161.2. What's more, its systematic name is (3S)-3-Hydroxy-4-(trimethylammonio)butanoate. The product should be stored at the temperature of 0 °C.

Physical properties of 1-Propanaminium,3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2S)- are: (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: 46.53 Å².

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

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