BIS-TRIS(Bis-Tris) - UltraBio™, Ultra pure, ≥98%(T) , CAS No.6976-37-0

CAS: 6976-37-0 Cat. No.: B433342 Formula: C₈H₁₉NO₅ Molecular Weight: 209.24 Beilstein Registry Number: 2205275 EC Number: 686-880-2

GRADE & PURITY UltraBio™, Ultra pure, ≥98%(T)

Synonyms

1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- | 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol | Bis(2-hydroxyethyl)iminotris(hydroxymethyl)methane BIS-TRIS | Bistris; NSC 119932; NSC 24868; NuPage Bis-Tris | NSC24868 |

Storage

Room temperature

Overview

Other Notes

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

Specifications

Synonyms

1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- | 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol | Bis(2-hydroxyethyl)iminotris(hydroxymethyl)methane BIS-TRIS | Bistris; NSC 119932; NSC 24868; NuPage Bis-Tris | NSC24868 |

Specifications & Purity

UltraBio™, Ultra pure, ≥98%(T)

Storage

Room temperature

Grade

Ultra pure, UltraBio™

Purity

≥98%(T)

Names and Identifiers

Canonical Smiles

C(CO)N(CCO)C(CO)(CO)CO

IUPAC Name

2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

InChIKey

OWMVSZAMULFTJU-UHFFFAOYSA-N

INCHI

1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

Isomeric SMILES

C(CO)N(CCO)C(CO)(CO)CO

WGK Germany

3

Molecular Weight

209.24

Beilstein

2205275

Reaxy-Rn

2205275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205275&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: Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - 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: pentol

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

Chemical and Physical Properties

• Solubility: H2O: 1M, clear, colorless
• x_melt_point_char: 103-104°C
• Molecular Weight: 209.240 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 209.126 Da
• Monoisotopic Mass: 209.126 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 125.000
• 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