Trifluoroacetamidine - ≥97% , CAS No.354-37-0

CAS: 354-37-0 Cat. No.: T192952 Molecular Weight: 112.05 EC Number: 670-531-6 PubChem CID: 2776882

GRADE & PURITY ≥97%

Synonyms

EN300-44257 | BP-10869 | STR05534 | D94783 | Trifluoroacetamidine, AldrichCPR | 2,2,2-trifluoroethaneimidamide | 2,2,2-tris(fluoranyl)ethanimidamide | 2,2,2-trifluoroacetimidamide | Ethanimidamide, 2,2,2-trifluoro- | trifluoroacetoamidine | trifluoroethan

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

Trifluoroacetamidine is used as probe for determination of membrane potential and extra/intracellular volume of erythrocytes by fluorine-19 NMR studies. It is a reagent used as protected ammonia equivalent.

Specifications

Synonyms

EN300-44257 | BP-10869 | STR05534 | D94783 | Trifluoroacetamidine, AldrichCPR | 2, 2, 2-trifluoroethaneimidamide | 2, 2, 2-tris(fluoranyl)ethanimidamide | 2, 2, 2-trifluoroacetimidamide | Ethanimidamide, 2, 2, 2-trifluoro- | trifluoroacetoamidine | trifluoroethan

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C(=N)(C(F)(F)F)N
• IUPAC Name: 2,2,2-trifluoroethanimidamide
• InChIKey: NITMACBPVVUGOJ-UHFFFAOYSA-N
• INCHI: 1S/C2H3F3N2/c3-2(4,5)1(6)7/h(H3,6,7)
• Isomeric SMILES: C(=N)(C(F)(F)F)N
• PubChem CID: 2776882
• UN Number: 3267
• Packing Group: II
• Molecular Weight: 112.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxamidines
• Alternative Parents: Carboximidamides Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboximidamide - Carboxylic acid amidine - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine group.
• 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: Fully miscible in water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.3820
• Boil Point(°C): 35-37°/11mm
• Molecular Weight: 112.050 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 112.025 Da
• Monoisotopic Mass: 112.025 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.400
• 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