N,N,N′,N′-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate - ≥98% , CAS No.265651-18-1

CAS: 265651-18-1 Cat. No.: S109332 Molecular Weight: 359.21 EC Number: 688-116-3 PubChem CID: 16211151

GRADE & PURITY ≥98%

Synonyms

N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uroniumHexafluorophosphate | A818509 | SCHEMBL2719586 | STWZCCVNXFLDDD-UHFFFAOYSA-N | SCHEMBL21066160 | [dimethylamino-[(2,5-dioxo-1-pyrrolidinyl)oxy]methylidene]-dimethylammonium hexafluorophosphate | 2-(2,5-dioxop

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

N,N,N′,N′-Tetramethyl-O-(N-succinimidyl)uronium hexafluorophosphate can be used to prepare N-succinimidyl 4-[18F]fluorobenzoate ([18F]-SFB), a prosthetic group for the fluorination of biomolecules for PET imaging.

Reactant for:

Synthesis of liposomal contrast agents for magnetic resonance imaging

Synthesis of thiol-reactive Cy5 derivatives

Synthesis of protein labeling molecules

Specifications

Synonyms

N, N, N', N'-Tetramethyl-O-(N-succinimidyl)uroniumHexafluorophosphate | A818509 | SCHEMBL2719586 | STWZCCVNXFLDDD-UHFFFAOYSA-N | SCHEMBL21066160 | [dimethylamino-[(2, 5-dioxo-1-pyrrolidinyl)oxy]methylidene]-dimethylammonium hexafluorophosphate | 2-(2, 5-dioxop

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O.F[P-](F)(F)(F)(F)F
• IUPAC Name: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;hexafluorophosphate
• InChIKey: STWZCCVNXFLDDD-UHFFFAOYSA-N
• INCHI: 1S/C9H16N3O3.F6P/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;1-7(2,3,4,5)6/h5-6H2,1-4H3;/q+1;-1
• Isomeric SMILES: CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 16211151
• Molecular Weight: 359.21
• Reaxy-Rn: 15594359

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Carboximidic acid derivative - Carboxylic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

Chemical and Physical Properties

• Solubility: acetonitrile: 0.5 g/mL, slightly hazy, colorless
• Sensitivity: Moisture sensitive;Heat sensitive
• Melt Point(°C): 218-221 °C
• Molecular Weight: 359.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 359.083 Da
• Monoisotopic Mass: 359.083 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 352.000
• 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: 2

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