N-Methylphenethylamine is a natural secondary amine neuromodulator that can be detected in human urine or plants.

Physicochemical Properties

Molecular Formula	C9H13N
Molecular Weight	135.21
Exact Mass	135.104
CAS #	589-08-2
Related CAS #	4104-43-2 (hydrochloride)
PubChem CID	11503
Appearance	Colorless to light yellow liquid
Density	0.9±0.1 g/cm3
Boiling Point	201.7±9.0 °C at 760 mmHg
Melting Point	0.93ºC
Flash Point	73.9±0.0 °C
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.509
LogP	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Complexity	74.8
Defined Atom Stereocenter Count	0
SMILES	N([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
InChi Key	SASNBVQSOZSTPD-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
Chemical Name	N-methyl-2-phenylethanamine
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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

Targets	IC50: Neuromodulator[1]
References	[1]. N-Methylphenethylamine, an indirect sympathicomimetic agent in vegetables (author's transl). Arzneimittelforschung. 1976;26(11):2001-3. [2]. Primary and secondary amines in the human environment. Food Cosmet Toxicol. 1977 Aug;15(4):275-82.
Additional Infomation	N-Methylphenethylamine has been reported in Senegalia berlandieri, Senegalia roemeriana, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (739.59 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.49 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 (18.49 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 (18.49 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	7.3959 mL	36.9795 mL	73.9590 mL
	5 mM	1.4792 mL	7.3959 mL	14.7918 mL
	10 mM	0.7396 mL	3.6980 mL	7.3959 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.