| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 14 | Yes |
Popular Name: Sodium 2-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)ethanesulfonate Sodium 2-((1,3-dihydroxy-2-(hydr…
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CAS Numbers: 70331-82-7 , 7365-44-8 , [7365-44-8]
"N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid, 99%"
2-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)ethanesulfonic acid
2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid
2-([Tris(hydroxymethyl)methyl]amino)ethane-1-sulfonic acid
2-{[Tris(hydroxymethyl)methyl]amino}-1-ethanesulfonic acid
7365-44-8; C05353; N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid; TES
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid
N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate
N-tris-(Hydroxymethyl)-methyl-2-amino ethansulfonic acid
N-Tris-(Hydroxymethyl)Methyl-2-Aminoethane Sulphonic Acid [7365-44-8]; (TES)
N-TRIS-(HYDROXYMETHYL)METHYL-2-AMINOETHANE SULPHONIC ACID; [7365-44-8]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.58 | -14.53 | -47.47 | 5 | 7 | 0 | 134 | 229.254 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; H2O: 1 M at 20 °C, clear, colorless | Indofine |
| ALOGPS_SOLUBILITY | 2.40e+01 g/l | DrugBank-experimental |
| Mp [°C] | 223 - 225 | Acros Organics |
| MP | 225°(dec.) | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| UniProt Database Links | ACL7A_BOVIN; ACL7A_HUMAN; ACL7A_MACFA; ACL7A_MOUSE; ACL7A_RAT; ALKB4_HUMAN; ALKB4_MOUSE; ENAH_HUMAN; ENAH_MOUSE; IFFO1_HUMAN; LUZP4_HUMAN; PASD1_HUMAN; TBR1_HUMAN; TBR1_MOUSE; TES26_TOXCA; TICN3_HUMAN; ZYX_HUMAN; ZYX_MOUSE | ChEBI |
| Notes | Assay (by titration) >99%Water (by Karl Fischer) <1.0%Biological buffer - useful range 6.8-8.2 | Apollo Scientific Bioactives |
| Melting_Point | ca 225? dec. | Alfa-Aesar |
| Melting_Point | ca 225° dec. | Alfa-Aesar |
| Patent Database Links | EP1048661; EP1473299; EP1506997 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| M.P | ~225 °C | Indofine |
No pre-computed analogs available. Try a structural similarity search.