Indole-3-methanamine is a biomarker of barley and cereal intake.

Physicochemical Properties

Molecular Formula	C₉H₁₀N₂
Molecular Weight	146.19
Exact Mass	146.084
CAS #	22259-53-6
PubChem CID	472107
Appearance	Brown to reddish brown solid powder
Density	1.2±0.1 g/cm3
Boiling Point	335.6±17.0 °C at 760 mmHg
Melting Point	104 - 107 °C
Flash Point	183.3±8.1 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.698
LogP	1.01
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Complexity	136
Defined Atom Stereocenter Count	0
InChi Key	JXYGLMATGAAIBU-UHFFFAOYSA-N
InChi Code	InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
Chemical Name	1H-indol-3-ylmethanamine
Synonyms	Indole3methanamine; Indole 3 methanamine
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

References	[1]. Indole-3-methanamine.
Additional Infomation	Indol-3-ylmethylamine is an aralkylamino compound that is indole substituted at position 3 by an aminomethyl group. It has a role as a metabolite. It is an aminoalkylindole and an aralkylamino compound. It is a conjugate base of an indol-3-ylmethylamine(1+). (1H-Indol-3-yl)methanamine has been reported in Arabidopsis thaliana and Solanum lycopersicum with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~342.02 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (17.10 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 (17.10 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.8404 mL	34.2021 mL	68.4041 mL
	5 mM	1.3681 mL	6.8404 mL	13.6808 mL
	10 mM	0.6840 mL	3.4202 mL	6.8404 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.