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CAS No.: | 18822-87-2 |
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Name: | DL-DECANOYLCARNITINE CHLORIDE |
Molecular Structure: | |
Formula: | C17H34ClNO4 |
Molecular Weight: | 351.91 |
Synonyms: | DL-Decanoylcarnitine chloride;Decanoylcarnitine chloride (±)-;3-Carboxy-2-(decanoyloxy)-N,N,N-trimethylpropan-1-aminium chloride; |
PSA: | 57.20000 |
LogP: | 2.72350 |
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The (±)-Decanoylcarnitine chloride, with the CAS registry number 18822-87-2, is also known as 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, chloride (1:1). It belongs to the product categories of A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C17H34ClNO4 and molecular weight is 351.91. What's more, its systematic name is 3-Carboxy-2-(decanoyloxy)-N,N,N-trimethyl-1-propanaminium chloride.
Physical properties of (±)-Decanoylcarnitine chloride are: (1)#H bond acceptors: 5; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 14; (4)Polar Surface Area: 63.6 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
(2)Std. InChI: InChI=1S/C17H33NO4.ClH/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4;/h15H,5-14H2,1-4H3;1H
(3)Std. InChIKey: KETNUEKCBCWXCU-UHFFFAOYSA-N