[1-(4-methoxyphenyl)propan-2-yl](methyl)amine hydrochloride

• ChemBase ID: 153691
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: CC(Cc1ccc(cc1)OC)NC.Cl
• Canonical SMILES: CNC(Cc1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-4-6-11(13-3)7-5-10;/h4-7,9,12H,8H2,1-3H3;1H
• InChIKey: IQZVXWOBOYTPER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)propan-2-yl](methyl)amine hydrochloride
• IUPAC Traditional name: para-methoxymethamphetamine hydrochloride
• Synonyms: DL-PMMA; DL-p-Methoxymethamphetamine hydrochloride solution; 4-Methoxy-N,α-dimethylbenzeneethanamine Hydrochloride; PMMA; p-Methoxy-N,α-dimethylphenethylamine Hydrochloride; 4-Methoxy Methamphetamine Hydrochloride

Database IDs

• CAS Number: 3398-68-3
• EC Number: 200-659-6
• MDL Number: MFCD01708226
• PubChem SID: 162247830
• PubChem CID: 197788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1479639
• LogD (pH = 7.4): -0.5867756
• Log P: 2.0791595
• Molar Refractivity: 54.943 cm^3
• Polarizability: 21.68154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solution
• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2
• Drug Control: kontrollierte Droge in Deutschland

Product Information

• Concentration: 1.0 mg/mL±5% in methanol
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C11H17NO · HCl

DETAILS

Sigma Aldrich - M0191

Biochem/physiol Actions
May have MDMA (3,4-methylenedioxyphenylisopropylamine; ectasy) effects.

Toronto Research Chemicals - M262830

The 4-methoxy analog of Methamphetamine (M258795). CNS stimulant. Controlled substance.

REFERENCES

• Glennon, R. et al.: Pharmacol. Biochem. Behav., 31, 9 (1988)
• MIchaux, R.: Exp. Brain Res., 3, 178 (1988)
• Glennon, R. et al.: Pharmacol. Biochem. Behav., 86, 477 (1988)