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

CAS: 761-01-3 Cat. No.: S161206 분자식: C₆H₁₅N·SO₃ 분자량: 181.25 Beilstein Registry Number: 3993170 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

508811530

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811530

정식 스마일

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;

이성체 SMILES

CCN(CC)CC.O=S(=O)=O

WGK 독일

3

PubChem CID

222301

분자량

181.25

Beilstein

3993170

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Chloroform (Slightly), Ethyl Acetate (Slightly)
• 감도: Moisture sensitive；heat sensitive
• 녹는점(°C): 93°C(lit.)
• 분자량: 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