2-[(2H3)methylamino]-1-(4-methylphenyl)propan-1-one hydrochloride

• ChemBase ID: 156482
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: CNC(C)C(=O)c1ccc(cc1)C.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-[(^2H₃)methylamino]-1-(4-methylphenyl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-[(^2H₃)methylamino]-1-(4-methylphenyl)propan-1-one hydrochloride
• Synonyms: 2-(Methyl-d3-amino)-1-(4-methylphenyl)-1-propanone hydrochloride; 4′-Methyl-2-(methyl-d3-amino)propiophenone hydrochloride; Mephedrone-d3 hydrochloride; 4-Methylmethcathinone-d3 hydrochloride; 4-Methylmethcathinone-d3 Hydrochloride; MMCAT-d3 Hydrochloride; 4-MMC-d3 Hydrochloride; Mephedrone-d3 Hydrochloride

Database IDs

• CAS Number: 1189972-79-9
• MDL Number: MFCD18910753
• PubChem SID: 162250620
• PubChem CID: 46782121

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: 21.05136 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: >220°C (dec.)
• Mass Shift: M+3

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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (HPLC)
• Grade: analytical standard, for drug analysis
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C11D3H12NO · HCl

DETAILS

Toronto Research Chemicals - M224202

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.