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| CAS No.: | 68399-81-5 |
|---|---|
| Name: | TAPSO |
| Molecular Structure: | |
|
|
|
| Formula: | C7H17NO7S |
| Molecular Weight: | 259.28 |
| Synonyms: | 3-[N-[Tris(hydroxymethyl)methyl]amino]-2-hydroxypropanesulfonicacid;TAPSO; |
| EINECS: | 269-993-8 |
| Density: | 1.601 g/cm3 |
| Melting Point: | 224-229 °C (dec.) |
| Solubility: | soluble in water |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 155.70000 |
| LogP: | -1.98790 |
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Specification
1. Introduction of TAPSO
The TAPSO, with the CAS registry number 68399-81-5, is also known as 2-Hydroxy-3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid. It belongs to the product categories of Biochemistry; Good's Buffers; Buffer. Its EINECS registry number is 269-993-8. This chemical's molecular formula is C7H17NO7S and molecular weight is 259.28. What's more, its IUPAC name is called 3-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid. It should be stored in a cool, dry and well-ventilated place. This chemical is used to make buffer solutions
2.Physical properties of TAPSO
(1)ACD/LogP: -4.031; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.55; (4)ACD/LogD (pH 7.4): -7.05; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 155.7 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 54.586 cm3; (15)Molar Volume: 161.886 cm3; (16)Polarizability: 21.64×10-24cm3; (17)Surface Tension: 89.498 dyne/cm; (18)Density: 1.602 g/cm3.
3.Structure descriptors of TAPSO
(1) SMILES: O=S(=O)(O)CC(O)CNC(CO)(CO)CO
(2) InChI: InChI=1S/C7H17NO7S/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15/h6,8-12H,1-5H2,(H,13,14,15)
(3) InChIKey: RZQXOGQSPBYUKH-UHFFFAOYSA-N
4. Safety information of TAPSO
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.