Physicochemical Properties
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.17844 |
| Exact Mass | 153.079 |
| CAS # | 1196-92-5 |
| Related CAS # | Vanillylamine hydrochloride;7149-10-2 |
| PubChem CID | 70966 |
| Appearance | White to off-white solid powder |
| Density | 1.161g/cm3 |
| Boiling Point | 292.9ºC at 760mmHg |
| Flash Point | 130.9ºC |
| Vapour Pressure | 0.00102mmHg at 25°C |
| LogP | 1.559 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 11 |
| Complexity | 119 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | WRPWWVNUCXQDQV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3 |
| Chemical Name | 4-(aminomethyl)-2-methoxyphenol |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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]. Functional validation of Capsicum frutescens aminotransferase gene involved in vanillylamine biosynthesis using Agrobacterium mediated genetic transformation studies in Nicotiana tabacum and Capsicum frutescens calli cultur. |
| Additional Infomation |
Vanillylamine is an aralkylamino compound. It is functionally related to a vanillyl alcohol. It is a conjugate base of a vanillylamine(1+). Vanillylamine has been reported in Capsicum annuum with data available. See also: ... View More ... |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~326.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.32 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 (16.32 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 (16.32 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 | 6.5283 mL | 32.6413 mL | 65.2827 mL | |
| 5 mM | 1.3057 mL | 6.5283 mL | 13.0565 mL | |
| 10 mM | 0.6528 mL | 3.2641 mL | 6.5283 mL |