2,2'-(Propan-1,3-diyldiimino)bis[2-(hydroxymethyl)propan-1,3-diol]

Bis-tris propane

HCID 125132

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Grundinformationen

CAS: 64431-96-5
Standard-SMILES: OCC(CO)(CO)NCCCNC(CO)(CO)CO
InChIKey: HHKZCCWKTZRCCL-UHFFFAOYSA-N
Summenformel: C11.H26.N2.O6
Durchschnittliche Molmasse: 282,33 g/mol
Monoisotopische Masse: 282,17908655

Überblick

Bis-tris propane is a water-soluble buffer substance used for the preparation of the biochemical and biological buffer solutions; pKa = 6.8 at 20 C. It has a role as a buffer. It is functionally related to a member of tris.

Namen und Bezeichner

Bevorzugter Name: Bis-tris propane
IUPAC: 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
Lokaler Name: 2,2'-(Propan-1,3-diyldiimino)bis[2-(hydroxymethyl)propan-1,3-diol]
Englischer Name: Bis-Tris propane
Summenformel: C11H26N2O6
Molmasse: 282.33

Namen und Synonyme

Bis-Tris propane64431-96-51,3-Bis[tris(hydroxymethyl)methylamino]propane1,3-Bis(tris(hydroxymethyl)methylamino)propanebis-tris-propaneN5YD0CS4DO1,3-Propanediol, 2,2'-(1,3-propanediyldiimino)bis[2-(hydroxymethyl)-CHEBI:409471,3-Propanediol, 2,2'-(1,3-propanediyldiimino)bis(2-(hydroxymethyl)-1,3-Bis(tris[hydroxymethyl]methylamino)propaneRefChem:4140511,3-Propanediol, 2,2'-(1,3-propanediyldiimino)bis(2-(hydroxymethyl))-

Weitere Namen anzeigen

B-T-PropaneyehebioBIS-TRIS propane 99+%BIS-Tris Propane, ULTROLBIS-TRIS PROPANE SIGMAULTRA1.0 M BIS-TRIS propane pH 8.51.0 M BIS-TRIS propane pH 6.61.0 M BIS-TRIS propane pH 8.4

264-899-32,2'-(Propane-1,3-diylbis(azanediyl))bis(2-(hydroxymethyl)propane-1,3-diol)2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOLMFCD00004689C11H26N2O62-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol2,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]2-[3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

Datenbank-Bezeichner

CAS: 64431-96-5
PubChem CID: 125132
DTXSID: DTXSID30894116
ChEMBL: CHEMBL63859
ChEBI: CHEBI:40947
UNII: N5YD0CS4DO
EC Number: 264-899-3
Nikkaji: J208.082F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,6
Polarare Oberfläche (TPSA): 145 Å²
H-Brücken-Donoren: 8
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 12
Schwere Atome: 19
Formalladung: 0
Komplexität: 183

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionWhite powder; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 164 · 164-165 °C(lit.)
Siedepunkt: 573.3 · 573.3±50.0 °C(Predicted)
Dichte: 1.326 · 1.326±0.06 g/cm3(Predicted)
storage temp.: room temp
Löslichkeit: 2 O: · H2O: 1 M at 20 °C, clear, colorless
Aggregatzustand: Powder/Solid
Farbe: White
PH: 9 · 9.0-10.1 (20-25℃, 1M in water)
pka: (1) 6.8, (2) 9.0(at 25℃)
Biologische Quelle: synthetic
Wasserlöslichkeit: Soluble in water.
BRN: 1786109 · 1786109
Major Application: diagnostic assay manufacturing
InChI: InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKey: HHKZCCWKTZRCCL-UHFFFAOYSA-N
SMILES: C(NC(CO)(CO)CO)CCNC(CO)(CO)CO
CAS Datenbank: 64431 · 64431-96-5(CAS DataBase Reference)
Absorption: 0.05 at · ≤0.05 at 290 at 30% (w/w)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.

Warning

H315 (41.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (41.7%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

wgk: 3
hs_code: 29221980
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungBIS-TRIS Propane is Good′s buffer. It acts as ligand and forms series of dinuclear hydroxo complexes with Lanthanides(III) in the pH range 7-9. It is useful for diagnostic assay manufacturing industry.

VerwendenBIS-Tris Propane is a buffer that is useful in the pH 6.3 - 9.5 range. This wide buffering range is due to its two pKa values, 6.8 (pKa1) and 9.0 (pKa2), being so close. Because of the wide buffering range, particularly down to pH 6 - 7, this buffer has been used to enhance the stability or activity of restriction enzymes, compared to Tris buffer (which is a poor buffer below pH 7.5 and has a comparatively large change in pKa with temperature).