BIS-TRIS propane(B-T-Propane) - UltraBio™, Ultra pure, ≥99%(T) , CAS No.64431-96-5

CAS: 64431-96-5 Cat. No.: B433230 Formula: C₁₁H₂₆N₂O₆ Molecular Weight: 282.33 Beilstein Registry Number: 1786109 EC Number: 264-899-3

GRADE & PURITY UltraBio™, Ultra pure, ≥99%(T)

Synonyms

Bis-Tris propane | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | 1,3-Bis(tris[hydroxymethyl]methylamino)propane | 1,3-Bis[tris(hydroxymethyl)methylamino]propane BIS-TRIS PROPANE | 2,2'-(propane-1,3-diyldii

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Other Notes

Easily compare specifications for BIS-TRIS propane products with the BIS-TRIS propane specification table .

Specifications

Synonyms

Bis-Tris propane | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | 1,3-Bis(tris[hydroxymethyl]methylamino)propane | 1,3-Bis[tris(hydroxymethyl)methylamino]propane BIS-TRIS PROPANE | 2,2'-(propane-1,3-diyldii

Specifications & Purity

UltraBio™, Ultra pure, ≥99%(T)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Grade

Ultra pure, UltraBio™

Purity

≥99%(T)

Names and Identifiers

Pubchem Sid

528770478

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770478

Canonical Smiles

C(CNC(CO)(CO)CO)CNC(CO)(CO)CO

IUPAC Name

2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

InChIKey

HHKZCCWKTZRCCL-UHFFFAOYSA-N

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

Isomeric SMILES

C(CNC(CO)(CO)CO)CNC(CO)(CO)CO

WGK Germany

3

Molecular Weight

282.33

Beilstein

1786109

Reaxy-Rn

1786109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: hexol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: 1M, clear, colorless
• Melt Point(°C): 164-165°C
• Molecular Weight: 282.330 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 282.179 Da
• Monoisotopic Mass: 282.179 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 183.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1