Ritalin

C₁₄H₂₀ClNO₂CAS 298-59-9269.77 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₁₄H₂₀ClNO₂
Molar mass: 269.77 g/mol
Exact mass: 269.1183 Da
Melting point: 224–226 °C
Water solubility: ≥ 100 g/L (20 °C)
logP: 2.51Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed98.4% of notifiers
H317 May cause an allergic skin reaction12.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled67.2% of notifiers
H336 May cause drowsiness or dizziness14.1% of notifiers

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P319, P321, P330, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

298-59-9

SMILES

COC(=O)C(c1ccccc1)C1CCCCN1.Cl

InChIKey

JUMYIBMBTDDLNG-UHFFFAOYSA-N

InChI

InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

2-Piperidineacetic acid, α-phenyl-, methyl ester, hydrochloride (1:1)
2-Piperidineacetic acid, α-phenyl-, methyl ester, hydrochloride
Centedrin
Methylphenidate hydrochloride
Methyl α-phenyl-2-piperidineacetate hydrochloride
Ritalin hydrochloride
Centedrine
Meridil
Metadate CD
Concerta
NSC 169868
Ritalin SR
Medikinet
Ritalin LA
Quillivant XR

Work with Ritalin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Diphenylmethylpiperidine hydrochloride5807-81-858 % similar α-Phenyl-2-piperidineacetic acid19395-41-657 % similar (±)-Desoxypipradrol519-74-451 % similar H-Phg-ome hcl15028-39-449 % similar D-Phenylglycine methyl ester hydrochloride19883-41-149 % similar Methyl prolinate hydrochloride2133-40-648 % similar (R)-Proline methyl ester hydrochloride65365-28-848 % similar H-Dl-pro-ome hcl79397-50-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alachlor15972-60-8 Acetochlor34256-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook