N,N,N',N'-Tetramethylchloroformamidinium-hexafluorophosphate - ≥99% , CAS No.207915-99-9

CAS: 207915-99-9 Cat. No.: T113346 Molecular Weight: 280.58 Beilstein Registry Number: 7896715 EC Number: 627-919-5 PubChem CID: 10989639

GRADE & PURITY ≥99%

Synonyms

2,4-Hexadienal (89% trans,trans-, 11% cis,trans-) | tetra-methylchloroformamidinium hexafluorophosphate | 2E-geraniol | N,N,N inverted exclamation mark(R),N inverted exclamation mark(R)-Tetramethylchloroformamidinium-hexafluorophosphate | BG-00012 | MFCD0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant for: Synthesis of onium salts for use in peptide coupling Synthesis of safer replacement for coupling reagents Synthesis of cancer cell cytotoxins Synthesis of bioconjugation reagent

Specifications

Synonyms

2, 4-Hexadienal (89% trans, trans-, 11% cis, trans-) | tetra-methylchloroformamidinium hexafluorophosphate | 2E-geraniol | N, N, N inverted exclamation mark(R), N inverted exclamation mark(R)-Tetramethylchloroformamidinium-hexafluorophosphate | BG-00012 | MFCD0

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504765848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765848
• Canonical Smiles: CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F
• IUPAC Name: [chloro(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate
• InChIKey: CUKNPSDEURGZCO-UHFFFAOYSA-N
• INCHI: 1S/C5H12ClN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
• Isomeric SMILES: CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F
• WGK Germany: 3
• PubChem CID: 10989639
• Molecular Weight: 280.58
• Beilstein: 7896715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Propargyl-type 1,3-dipolar organic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Propargyl-type 1,3-dipolar organic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Propargyl-type 1,3-dipolar organic compounds
• Alternative Parents: Carboximidamides Organochlorides Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as propargyl-type 1,3-dipolar organic compounds. These are organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O).
• 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

• Sensitivity: Moisture sensitive;Hygroscopic
• Melt Point(°C): 99-104°C
• Molecular Weight: 280.580 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 280.033 Da
• Monoisotopic Mass: 280.033 Da
• Topological Polar Surface Area: 6.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 153.000
• 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

XLogP3