CAS No.29915-38-6,TAPS Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29915-38-6
Name:	TAPS
Article Data:	4

Formula:	C₇H₁₇NO₆S
Molecular Weight:	243.281
Synonyms:	3-[N-[Tris(hydroxymethyl)methyl]amino]-1-propanesulfonicacid;N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid;NSC 610928;TAPS (buffering agent);Tris(hydroxymethyl)methylaminopropanesulfonicacid;TAPS;
EINECS:	249-954-1
Density:	1.483 g/cm³
Melting Point:	230-235 °C (dec.)
Flash Point:	110°C
Solubility:	H₂O: 1 M at 20 °C, clear, colorless
Appearance:	White/clear crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	135.47000
LogP:	-0.95870

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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 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

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

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In water

: 29915-38-6
3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

: 14518-69-5
tetra-n-butylphosphonium hydroxide

: [TBP][TAPS]

Conditions

Conditions	Yield
In water at 20℃;

: 29915-38-6
3-{[tris(hydroxymethyl)methyl]amino}propanesulfonic acid

: 75-59-2
tetramethyl ammoniumhydroxide

: C7H16NO6S(1-)*C4H12N(1+)

Conditions

Conditions	Yield
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

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

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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.