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TAPS

  • Name TAPS
  • EINECS249-954-1
  • CAS No. 29915-38-6
  • Density1.483 g/cm3
  • PSA135.47000
  • LogP-0.95870
  • SolubilityH2O: 1 M at 20 °C, clear, colorless
  • Melting Point230-235 °C (dec.)
  • FormulaC7H17NO6S
  • Boiling PointN/A
  • Molecular Weight243.281
  • Flash Point110°C
  • Transport InformationN/A
  • AppearanceWhite/clear crystalline powder
  • Safety22-24/25-36-26
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 29915-38-6 (TAPS)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data4

TAPS Synthetic route

1120-71-4

1,3-propanesultone

77-86-1

2-amino-2-hydroxymethyl-1,3-propanediol

29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

Conditions
ConditionsYield
In butan-1-ol
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

3H3N*3H(1+)*[CrMo6O18(OH)6](3-)

3H3N*3H(1+)*[O3S(CH2)3NH2C(CH2O)3]CrMo6O18(OH)3(3-)

Conditions
ConditionsYield
In water at 150℃; for 12h;90%
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

78902-01-9

(R)-1-acetamido-2-phenylethane-1-boronic acid

A

C17H25BN2O7S(2-)*2Na(1+)

B

C17H25BN2O7S(2-)*2Na(1+)

Conditions
ConditionsYield
With deuteriated sodium hydroxide In water-d2 Esterification; Title compound not separated from byproducts;
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

98-80-6

phenylboronic acid

A

C13H18BNO6S(2-)*2Na(1+)

B

C13H20BNO7S(2-)*2Na(1+)

C

C13H20BNO7S(2-)*2Na(1+)

Conditions
ConditionsYield
With deuteriated sodium hydroxide In water-d2 Esterification; Title compound not separated from byproducts;

erbium(III) chloride hexahydrate

29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

366804-92-4

[bis[N-tris(hydroxymethyl)methyl]-3-aminopropane sulfonato]diaquoerbium(III) chloride

Conditions
ConditionsYield
In water Na-compd:lanthanida-salt molar ratio was 2:1, reflux for 1 h; soln. was cooled to room temp., solid was washed with hot EtOH and recrystd. from hot EtOH-H2O (1:1) mixt., dried in vac. for several h, elem. anal.;

neodymium(III) nitrate hexahydrate

29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

366804-91-3

[bis[N-tris(hydroxymethyl)methyl]-3-aminopropane sulfonato]diaquoneodymium(III) nitrate

Conditions
ConditionsYield
In water Na-compd:lanthanida-salt molar ratio was 2:1, reflux for 1 h; soln. was cooled to room temp., solid was washed with hot EtOH and recrystd. from hot EtOH-H2O (1:1) mixt., dried in vac. for several h, elem. anal.;
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

N-methyltriethylenediamine hydroxide

[C1ted][TAPS]

Conditions
ConditionsYield
In water
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

14518-69-5

tetra-n-butylphosphonium hydroxide

[TBP][TAPS]

Conditions
ConditionsYield
In water at 20℃;
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

75-59-2

tetramethyl ammoniumhydroxide

C7H16NO6S(1-)*C4H12N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
29915-38-6

3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

77-98-5

tetraethylammonium hydroxide

C7H16NO6S(1-)*C8H20N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;

TAPS Specification

1.Introduction of TAPS

The 1-Propanesulfonic acid,3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, with the CAS registry number 29915-38-6, is also known as 3-(Tris(hydroxymethyl)methylamino)-1-propanesulfonic acid. It belongs to the product categories of API Intermediates; Biochemistry; Good's Buffers; Buffer. Its EINECS registry number is 249-954-1. This chemical's molecular formula is C7H17NO6S and molecular weight is 243.28. Its IUPAC name is called 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid. The product should be sealed at room temperature. What's more, it should be protected from strong oxides.

2.Physical properties of TAPS

(1)ACD/LogP: -2.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.91; (4)ACD/LogD (pH 7.4): -5.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 53.07 cm3; (14)Molar Volume: 164 cm3; (15)Surface Tension: 75.7 dyne/cm; (16)Density: 1.483 g/cm3.

3.Structure descriptors of TAPS

(1)Canonical SMILES: C(CNC(CO)(CO)CO)CS(=O)(=O)O
(2)InChI: InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
(3)InChIKey: YNLCVAQJIKOXER-UHFFFAOYSA-N

4.Safety information of TAPS

This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

 

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