2-(methylamino)-1-(4-methylphenyl)propan-1-one hydrochloride

• ChemBase ID: 154884
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: Cc1ccc(cc1)C(=O)C(C)NC.Cl
• Canonical SMILES: CNC(C(=O)c1ccc(cc1)C)C.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-8-4-6-10(7-5-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H
• InChIKey: DLQZFTUKJGRPLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-1-(4-methylphenyl)propan-1-one hydrochloride
• IUPAC Traditional name: mephedrone hydrochloride
• Synonyms: 4-Methylmethcathinone hydrochloride; Mephedrone hydrochloride; MMCAT Hydrochloride; 4-MMC Hydrochloride; Mephedrone Hydrochloride; 2-(Methylamino)-1-(p-tolyl)propan-1-one hydrochloride; 2-Methylamino-1-(4-methylphenyl)-1-propanone hydrochloride; 4′-Methyl-2-methylaminopropiophenone hydrochloride; 4-MMC HCl; Mephedrone hydrochloride; 4-Methylmethcathinone hydrochloride

Database IDs

• CAS Number: 1189726-22-4
• MDL Number: MFCD14585021
• Beilstein Number: 3699980
• PubChem SID: 162249022
• PubChem CID: 46782120

CALCULATED PROPERTIES

• Acid pKa: 18.658678
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34583285
• LogD (pH = 7.4): 1.3883518
• Log P: 2.1215296
• Molar Refractivity: 54.1302 cm^3
• Polarizability: 21.051357 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; DMSO: >20 mg/mL; Methanol
• Apperance: Off-White to Pale Yellow Solid; white to off-white powder
• Melting Point: 217-219°C (dec.)

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Hygroscopic
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25-43
• Safety Statements: 36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317
• GHS Precautionary statements: P280-P301 + P310
• Drug Control: USDEA Schedule I
• Storage Temperature: 2-8°C; room temp

Product Information

• Purity: ≥98% (HPLC); ≥98.5% (HPLC); 95+%
• Grade: analytical standard, for drug analysis
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C11H15NO · HCl; C11H15NO·HCl

DETAILS

Sigma Aldrich - M3449

Biochem/physiol Actions
Mephedrone is a synthetic stimulant, an analog of Cathinone and Methamphetamine.

Toronto Research Chemicals - M224200

It is a stimulant drug related to cathinone and methcathinone. The effects of Mephedrone are reportedly comparable to those of similar drugs such as MDMA and methylone.