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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperidineaceticacid, a-phenyl-, methyl ester,hydrochloride (1:1)
1346601-16-8 structure

2-Piperidineaceticacid, a-phenyl-, methyl ester,hydrochloride (1:1)

Iupac Name:[1-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-methylindol-3-yl]-naphthalen-1-ylmethanone
CAS No.:1346601-16-8
Molecular Weight:334.47
Molecular Formula:C11H11NO5 (isomer)
Names and Identifiers
Synonyms

2-piperidineacetic acid, .alpha.-phenyl-, methyl ester, hydrochloride 2-piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride 2-piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride, (r*,r*)-(+-)- 2-Piperidineaceticacid, a-phenyl-, methyl ester,hydrochloride (6CI,8CI,9CI) AC1L1SQ4 AC1Q5YRN AK116471 alpha-phenyl-2-piperidineacetic acid methyl ester hydrochloride AN-23356 api0003340 cc-30903 CCG-213572 ccris 6258 Centedrin centedrine CHEBI:31836 CHEMBL1722 ciba 4311b Concerta CS-4658 D01296 dsstox_cid_886 dsstox_gsid_20886 DTXSID8020886 einecs 206-065-3 FT-0672046 FT-0672047 h-tic-otbu.hcl HY-B1091A JUMYIBMBTDDLNG-UHFFFAOYSA-N LS-42 medikinet Meridil meridil hydrochloride metadate (tn) Metadate CD methyl .alpha.-phenyl-2-piperidineacetate hydrochloride methyl 2-phenyl-2-(2-piperidyl)acetate hydrochloride methyl 2-phenyl-2-(piperidin-2-yl)acetate hcl methyl 2-phenyl-2-(piperidin-2-yl)acetate hydrochloride methyl 2-phenyl-2-piperidin-2-ylacetate hydrochloride methyl alpha-phenyl-2-piperidineacetate hydrochloride methyl alpha-phenyl-2-piperidine-acetate hydrochloride Methyl a-phenyl-2-piperidineacetate hydrochloride methyl phenyl(piperidin-2-yl)acetate hydrochloride methylphenidan hydrochloride methylphenidate (hydrochloride) methylphenidate hydrochloride methylphenidate hydrochloride (jan/usp) methylphenidate hydrochloride [usan:jan] methylphenidate hydrochloride(see also: methylphenidate, cas 113-45-1, ntpno m20344) methylphenidate(ritalin) methylphenidate.hcl metilfenidat hydrochloride MLS003922100 NCGC00091942-01 NCGC00257863-01 nsc 169868 nsc169868 nsc-169868 nsc759278 pharmakon1600-01505907 quillichew er quillivant xr quillivant xr (tn) rilaline rilatine Ritalin ritalin hy drochloride ritalin hydrochloride Ritalin SR SCHEMBL41067 tox21_111186 transgenic model evaluation (methylphenidate hydrochloride) (see also: methylphenidate hydrochloride) wln: t6mtj byr & vo1 & gh

Inchi
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3/i1D3,3D2,15D2
InChkey
LJSBBBWQTLXQEN-NORAUYJISA-N
Canonical Smiles
CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
Properties
Appearance
white crystalline powder
Density
0.997
Boiling Point
557.4°C at 760 mmHg
Flash Point
321.4°C
Solubility
Water solubility: moderate
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, alkalies, barbiturates.
Storage temp
Store at RT
Spectral properties
MAX ABSORPTION (ACID (SALT)) & (BASE (SALT)): 257 NM (A= 8, 1%, 1 CM)
Intense mass spectral peaks: 84 m/z, 91 m/z, 150 m/z
Safety and Handling
Safety
Hazard Codes:Xn
Risk Statements:22-42
22:Harmful if swallowed
42:May cause sensitization by inhalation
Safety Statements:22-26-36
22:Do not breathe dust
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
RIDADR:3249
WGK Germany:3
HazardClass:6.1(b)
PackingGroup:III
Formulations/Preparations
Oral: tablets: 5 mg, 10 mg, 20 mg; extended release tablets: 20 mg. /Methylphenidate hydrochloride/
Exposure Standards and Regulations
Schedules of controlled substances are established by section 202 of the Controlled Substances Act (21 U.S.C. 812). Schedule II includes Methylphenidate, DEA Code #1724; Drug class: Stimulant.
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Specification

white crystalline powder
usageEng:Controlled substance (stimulant). CNS stimulant. Four isomers of Methylphenidate are known to exist. One pair of threo isomers and one pair of erythro are distinguished, from which only d-threo-Methylphenidate exhibits the pharmacologically usually desire
Safety Statements:22-26-36
22:Do not breathe dust
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
Octanol/Water Partition Coefficient
log Kow= 0.20 @ pH 7.2
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:334.47g/mol
  • Molecular Formula:C11H11NO5
  • Compound Is Canonicalized:True
  • Exact Mass:334.206
  • Monoisotopic Mass:334.206
  • Complexity:475
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:7
  • Covalently-Bonded Unit Count:1
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