(+)-Carnitine Benzyl Ester Chloride - CAS 14548-21-1
Catalog: |
BB070498 |
Product Name: |
(+)-Carnitine Benzyl Ester Chloride |
CAS: |
14548-21-1 |
Synonyms: |
(+)-(3-Carboxy-2-hydroxypropyl)trimethylammonium Chloride Benzyl Ester |
IUPAC Name: | [(2R)-2-hydroxy-4-oxo-4-phenylmethoxybutyl]-trimethylazaniumchloride |
Description: | (+)-Carnitine Benzyl Ester Chloride is an protected intermediate in the synthesis of Carnitine (C184105) based compounds. |
Molecular Weight: | 287.78 |
Molecular Formula: | C14H22ClNO3 |
Canonical SMILES: | C[N+](C)(C)CC(CC(=O)OCC1=CC=CC=C1)O.[Cl-] |
InChI: | InChI=1S/C14H22NO3.ClH/c1-15(2,3)10-13(16)9-14(17)18-11-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H31H/q+1/p-1/t13-/m1./s1 |
InChI Key: | YVRQGGDOPWFPBS-BTQNPOSSSA-M |
Melting Point: | >184°C (dec.) |
Solubility: | Methanol (Slightly), Water (Slightly) |
Appearance: | White Solid |
Storage: | -20°C, Hygroscopic |
References: | Su, Xiong., et al. Biochem., 44, 5234 (2005). |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.1288213 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.1288213 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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