Physicochemical Properties
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| Exact Mass | 167.069 |
| CAS # | 59981-63-4 |
| PubChem CID | 162899 |
| Appearance | White to off-white solid powder |
| Density | 1.439g/cm3 |
| Boiling Point | 552.2ºC at 760 mmHg |
| Flash Point | 287.8ºC |
| Index of Refraction | 1.612 |
| LogP | -3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 12 |
| Complexity | 197 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | C1[C@H](NCC2=C1N=CN2)C(=O)O |
| InChi Key | YCFJXOFFQLPCHD-YFKPBYRVSA-N |
| InChi Code | InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m0/s1 |
| Chemical Name | (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid |
| 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
| Additional Infomation |
Spinacine is an alpha-amino acid. Spinacine has been reported in Panax ginseng with data available. |
Solubility Data
| Solubility (In Vitro) |
H2O : ~33.33 mg/mL (~199.38 mM) DMSO :< 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 4.55 mg/mL (27.22 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C). (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.9819 mL | 29.9097 mL | 59.8193 mL | |
| 5 mM | 1.1964 mL | 5.9819 mL | 11.9639 mL | |
| 10 mM | 0.5982 mL | 2.9910 mL | 5.9819 mL |