Physicochemical Properties
| Molecular Formula | C11H15NO3.HCL |
| Molecular Weight | 245.70264 |
| Exact Mass | 245.082 |
| CAS # | 7361-31-1 |
| PubChem CID | 11957616 |
| Appearance | White to light yellow solid powder |
| Boiling Point | 336.4ºC at 760 mmHg |
| Melting Point | 192 °C (dec.)(lit.) |
| Flash Point | 157.2ºC |
| LogP | 2.327 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 16 |
| Complexity | 224 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC(CC1=CC=C(C=C1)O)(C(=O)OC)N.Cl |
| InChi Key | OOVDEPZODSXAMU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C11H15NO3.ClH/c1-11(12,10(14)15-2)7-8-3-5-9(13)6-4-8;/h3-6,13H,7,12H2,1-2H3;1H |
| Chemical Name | methyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate;hydrochloride |
| 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: Please store this product in a sealed and protected environment, 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
Solubility Data
| Solubility (In Vitro) |
H2O : ~25 mg/mL (~101.75 mM) DMSO : ~9.09 mg/mL (~37.00 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.91 mg/mL (3.70 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 9.1 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: ≥ 0.91 mg/mL (3.70 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 9.1 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: ≥ 0.91 mg/mL (3.70 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 9.1 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 | 4.0700 mL | 20.3500 mL | 40.7000 mL | |
| 5 mM | 0.8140 mL | 4.0700 mL | 8.1400 mL | |
| 10 mM | 0.4070 mL | 2.0350 mL | 4.0700 mL |