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29915-38-6 molecular structure
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3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid

ChemBase ID: 53588
Molecular Formular: C7H17NO6S
Molecular Mass: 243.27798
Monoisotopic Mass: 243.07765827
SMILES and InChIs

SMILES:
S(=O)(=O)(O)CCCNC(CO)(CO)CO
Canonical SMILES:
OCC(NCCCS(=O)(=O)O)(CO)CO
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)
InChIKey:
YNLCVAQJIKOXER-UHFFFAOYSA-N

Cite this record

CBID:53588 http://www.chembase.cn/molecule-53588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid
IUPAC Traditional name
3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid
taps (buffer)
Synonyms
3-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}-1-propanesulfonic acid
N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid
[(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]-1-propanesulfonic acid
TAPS FREE ACID
TAPS
3-[Tris(hydroxymethyl)methyl]amino-1-propanesulfonic acid
N-Tris(hydroxymethyl)methyl-3-aminopropanesulfonic acid
N-[三(羟甲基)甲基]-3-氨基丙磺酸
[(2-羟基-1,1-二(羟甲基)乙基)氨基]-1-丙磺酸
三羟甲基甲胺基丙磺酸
3-[(羟甲基)甲基胺]丙烷磺酸
CAS Number
29915-38-6
EC Number
249-954-1
MDL Number
MFCD00007538
Beilstein Number
2452420
PubChem SID
162058351
24900259
24889853
24900268
24900596
PubChem CID
121591

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -0.89833564  H Acceptors
H Donor LogD (pH = 5.5) -4.4181337 
LogD (pH = 7.4) -4.4420524  Log P -4.417834 
Molar Refractivity 52.6818 cm3 Polarizability 21.874325 Å3
Polar Surface Area 127.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble0.5 M at 20 °C, clear expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Melting Point
189-192°C expand Show data source
230-235 °C (dec.) expand Show data source
239-241°C dec. expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Absorption Wavelength
A1M/260, H2O ≤0.05 expand Show data source
A1M/280, H2O ≤0.05 expand Show data source
λ: 260 nm Amax: 0.012 expand Show data source
λ: 280 nm Amax: 0.008 expand Show data source
pKa
8.4 expand Show data source
pH
4.5-6.5 (25 °C, 0.1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (T) expand Show data source
≥99.5% (T) expand Show data source
≥99.5% (titration) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
Biotechnology Performance Certified expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
cell culture tested expand Show data source
Ignition Residue
≤0.1% expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.001% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
K: ≤0.005% expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤0.005% expand Show data source
Na: ≤50 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Foreign Activity
DNase, RNase, protease, none detected expand Show data source
Loss on Drying
≤0.1% loss on drying, 110 °C expand Show data source
pH Range
7.7 - 9.1 expand Show data source
Quality Level
ELITE expand Show data source
λ
0.1 M in H2O expand Show data source
Useful pH Range
7.7 - 9.1 expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C7H17NO6S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02103007 external link
Free Acid
Crystalline
pKa at 20°C = 8.4
Useful pH range 7.7-9.1
Sigma Aldrich - 219932 external link
Application
Physiological buffer,
Sigma Aldrich - 93361 external link
Other Notes
For studies of electron transport and phosphorylation in chloroplast lamellae preparations1; Affords good protection of oxyhaemoglobin from oxidation to methaemoglobin during freeze-drying2; Background electrolyte in protein trace analysis by capillary zone electrophoresis with on-column transient isotachophoretic preconcentration3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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