Sulfur Trioxide - Triethylamine Complex - ≥95% , CAS No.761-01-3

CAS: 761-01-3 Cat. No.: S161206 Formula: C₆H₁₅N·SO₃ Peso molecolare: 181.25 Beilstein Registry Number: 3993170 Numero EC: 629-333-5 PubChem CID: 222301

GRADE & PURITY ≥95%

Synonyms

N,N-diethylethanamine;sulfur trioxide | SCHEMBL284131 | NSC68185 | NSC-68185 | FT-0698941 | LS-13236 | NSC 68185, NSC 8168, Triethylamine sulfur trioxide complex | N,N-diethylethanamine; sulfur trioxide | triethylamine sulphur trioxide | YYHPEVZFVMVUNJ-UH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Reactant for reagent for synthesis of: . Anticoagulant and antiplatelet persulfated glycosides or flavonoids containing an oligopolysulfated moiety . Narciclasine derivatives for use as anticancer agents . Sulfate-conjugated methylprednisolone for use as a colon-specific prodrug . Tetrasaccharide substrates of heparanase by glycosylation of disaccharides . Synthetic heparin oligosaccharide microarrays for analysis of heparin-protein interactions . Dexamethasone 21-sulfate sodium for use as a colon-specific prodrug

Specifications

Sinonimi

N,N-diethylethanamine;sulfur trioxide | SCHEMBL284131 | NSC68185 | NSC-68185 | FT-0698941 | LS-13236 | NSC 68185, NSC 8168, Triethylamine sulfur trioxide complex | N,N-diethylethanamine; sulfur trioxide | triethylamine sulphur trioxide | YYHPEVZFVMVUNJ-UH

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508811530
• Sorrisi canonici: CCN(CC)CC.O=S(=O)=O
• IUPAC Name: N,N-diethylethanamine;sulfur trioxide
• InChIKey: YYHPEVZFVMVUNJ-UHFFFAOYSA-N
• INCHI: 1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3
• Isomeri SMILES: CCN(CC)CC.O=S(=O)=O
• WGK Germania: 3
• PubChem CID: 222301
• Peso molecolare: 181.25
• Beilstein: 3993170

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• External Descriptors: Not available

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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilità: Moisture sensitive；heat sensitive
• Punto di fusione (°C): 93°C(lit.)
• Peso molecolare: 181.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.077 Da
• Monoisotopic Mass: 181.077 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 87.500
• 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: 2

XLogP3

Riferimenti

1. Ning Yu, Rui Fang, Zhao Ding, Xi Xu, Jianfa Zhang.  (2024)  Preparation and structural characterization of a sulfated octasaccharide with heparin-like anticoagulant activity.  CARBOHYDRATE POLYMERS,      [PMID:39487001] [10.1016/j.carbpol.2024.122782]