2-(3,4-dimethoxyphenyl)ethan-1-amine

• ChemBase ID: 67283
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
• InChIKey: ANOUKFYBOAKOIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: dimethoxyphenylethylamine
• Synonyms: 2-(3,4-dimethoxyphenyl)ethanamine; 3,4-Dimethoxyphenethylamine; 3,4-Dimethoxyphenethylamine; 3,4-DIMETHOXYPHENYLETHYLAMINE; Homoveratrylamine; 2-(3,4-Dimethoxyphenyl)ethylamine; Homoveratrylamine; DIMPEA; DMPE; DMPEA; Dopamine Dimethyl Ether; NSC 16948; NSC 26152; NSC 6328; O,O-Dimethyldopamine; β-(3,4-Dimethoxyphenyl)ethylamine; Homoveratrylamine; 3,4-Dimethoxybenzeneethanamine; 3,4-Dimethoxyphenethylamine; 2-(3,4-Dimethoxyphenyl)-1-aminoethane; 2-(3,4-Dimethoxyphenyl)ethanamine; 3,4-Di-O-methyldopamine; 3,4-Dimethoxy-β-phenylethylamine; 3,4-二甲氧基苯乙胺; 高藜芦胺; 3,4-二甲氧基苯乙胺; 高藜芦胺

Database IDs

• CAS Number: 120-20-7
• EC Number: 204-376-9
• MDL Number: MFCD00008188
• Beilstein Number: 474393
• PubChem SID: 24893271; 162033019
• PubChem CID: 8421
• CHEBI ID: 136995
• CHEMBL: 26019
• Chemspider ID: 8114
• Wikipedia Title: 3,4-Dimethoxyphenethylamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9377364
• LogD (pH = 7.4): -1.2355065
• Log P: 1.072333
• Molar Refractivity: 52.2128 cm^3
• Polarizability: 20.493984 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Clear Colourless Oil
• Boiling Point: 188 °C/15 mmHg(lit.)
• Flash Point: 130 °C; 266 °F
• Density: 1.07 g/ml; 1.074 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.546(lit.); n20/D 1.55

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: SH2300000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%; 97%
• Grade: purum
• Linear Formula: (CH3O)2C6H3CH2CH2NH2

DETAILS

MP Biomedicals - 05215066

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150921

Catecholamine involved in schizophrenia.
1 ml = 1.07 g

Sigma Aldrich - D136204

Packaging
25, 100 g in glass bottle
Application
Precursor for the synthesis of isoquinolines.1,2,3

Sigma Aldrich - 53660

Other Notes
Sales restrictions may apply

Toronto Research Chemicals - H669540

A methylated metabolite of Dopamine (D533780); a potent inhibitor of brain mitochondrial respiration used in Parkinson’s disease studies.

REFERENCES

• Nature , 231 : 22 (1971).
• Gluck, M.R. et al.: J. Neurochem., 91, 788 (2004)
• Charlton, C.G. et al.: Life Sci., 66, 2159 (2004)