3-Methoxyphenylethylamine is an organic/chemical reagent that can be used as an intermediate for medicines, dyes, and liquid crystal materials.

Physicochemical Properties

Molecular Formula	C9H13NO
Molecular Weight	151.2056
Exact Mass	151.099
CAS #	2039-67-0
Related CAS #	2039-54-5 (hydrochloride)
PubChem CID	74866
Appearance	Colorless to light yellow liquid
Density	1.0±0.1 g/cm3
Boiling Point	262.7±0.0 °C at 760 mmHg
Flash Point	104.9±13.6 °C
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.526
LogP	1.37
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Complexity	106
Defined Atom Stereocenter Count	0
SMILES	O(C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])C([H])([H])N([H])[H]
InChi Key	WJBMRZAHTUFBGE-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
Chemical Name	2-(3-methoxyphenyl)ethanamine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Highly Potent and Selective New Diphenethylamines Interacting with the κ-Opioid Receptor: Synthesis, Pharmacology, and Structure-Activity Relationships. J Med Chem. 2017 Sep 14;60(17):7579-7590.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (661.33 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (16.53 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.53 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.6133 mL	33.0666 mL	66.1332 mL
	5 mM	1.3227 mL	6.6133 mL	13.2266 mL
	10 mM	0.6613 mL	3.3067 mL	6.6133 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.