Physicochemical Properties
| Molecular Formula | C4H10N2O4S |
| Molecular Weight | 182.20 |
| Exact Mass | 182.036 |
| CAS # | 7365-82-4 |
| PubChem CID | 81832 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Melting Point | >220 °C (dec.)(lit.) |
| Index of Refraction | 1.537 |
| LogP | -3.24 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 11 |
| Complexity | 217 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C([H])([H])C([H])([H])N([H])C([H])([H])C(N([H])[H])=O)(=O)(=O)O[H] |
| InChi Key | DBXNUXBLKRLWFA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10) |
| Chemical Name | 2-[(2-amino-2-oxoethyl)amino]ethanesulfonic 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
| References |
[1]. Melissa D Mertzman, et al. Effect of surfactant concentration and buffer selection on chromatographic figures of merit in chiral microemulsion electrokinetic chromatography. Electrophoresis. 2004 Oct;25(18-19):3247-56. [2]. Rabindra N Roy, et al. Buffer Standards for the Physiological pH of the Zwitterionic Compound, ACES from 5 to 55°C. J Solution Chem. 2009 Apr 1;38(4):471-483. |
| Additional Infomation | N-(2-acetamido)-2-aminoethanesulfonic acid is a Good's buffer substance, pKa = 6.9 at 20 ℃. It is an ACES and an amino sulfonic acid. It is a tautomer of a 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate. |
Solubility Data
| Solubility (In Vitro) | H2O: 41.67 mg/mL (228.70 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 16.67 mg/mL (91.49 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.4885 mL | 27.4424 mL | 54.8847 mL | |
| 5 mM | 1.0977 mL | 5.4885 mL | 10.9769 mL | |
| 10 mM | 0.5488 mL | 2.7442 mL | 5.4885 mL |