Home Other Building Blocks Phenyl(2-piperidinyl)acetic acid

Phenyl(2-piperidinyl)acetic acid

CAS No.:
19395-41-6
Catalog Number:
AG0039GA
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0039GA
Chemical Name:
Phenyl(2-piperidinyl)acetic acid
CAS Number:
19395-41-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD06200695
IUPAC Name:
2-phenyl-2-piperidin-2-ylacetic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
InChI Key:
INGSNVSERUZOAK-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)C1CCCCN1
EC Number:
243-020-7
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  
Literature
Title Journal
Enantioselective determination of methylphenidate and ritalinic acid in whole blood from forensic cases using automated solid-phase extraction and liquid chromatography-tandem mass spectrometry. Journal of analytical toxicology 20121001
Determination of methylphenidate and its metabolite ritalinic acid in urine by liquid chromatography/tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120115
Determination of methylphenidate and ritalinic acid in blood, plasma and oral fluid from adolescents and adults using protein precipitation and liquid chromatography tandem mass spectrometry--a method applied on clinical and forensic investigations. Journal of pharmaceutical and biomedical analysis 20110715
HPLC determination of methylphenidate and its metabolite, ritalinic acid, by high-performance liquid chromatography with peroxyoxalate chemiluminescence detection. Analytical and bioanalytical chemistry 20110401
Occurrence and fate of the human pharmaceutical metabolite ritalinic acid in the aquatic system. Chemosphere 20101201
Usefulness of sweat testing for the detection of methylphenidate after fast- and extended-release drug administration: a pilot study. Therapeutic drug monitoring 20100801
Identification of selected therapeutic agents as inhibitors of carboxylesterase 1: potential sources of metabolic drug interactions. Toxicology 20100411
Correlation between methylphenidate and ritalinic acid concentrations in oral fluid and plasma. Clinical chemistry 20100401
Pharmacokinetics of methylphenidate in oral fluid and sweat of a pediatric subject. Forensic science international 20100320
Influence of ethanol on the pharmacokinetics of methylphenidate's metabolites ritalinic acid and ethylphenidate. Arzneimittel-Forschung 20100101
Plasma and brain concentrations of oral therapeutic doses of methylphenidate and their impact on brain monoamine content in mice. Neuropharmacology 20091201
Pharmacokinetics, dose-range, and mutagenicity studies of methylphenidate hydrochloride in B6C3F1 mice. Environmental and molecular mutagenesis 20081001
Liquid chromatography-tandem mass spectrometry method for the simultaneous analysis of multiple hallucinogens, chlorpheniramine, ketamine, ritalinic acid, and metabolites, in urine. Journal of analytical toxicology 20071001
A single-dose, two-way crossover, bioequivalence study of dexmethylphenidate HCl with and without food in healthy subjects. Journal of clinical pharmacology 20040201
Enantioselective analysis of ritalinic acids in biological samples by using a protein-based chiral stationary phase. Pharmaceutical research 20031101
High-throughput selected reaction monitoring liquid chromatography-mass spectrometry determination of methylphenidate and its major metabolite, ritalinic acid, in rat plasma employing monolithic columns. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030105
Properties