2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride - ≥98% , CAS No.1171331-39-7

CAS: 1171331-39-7 Cat. No.: A397701 Molecular Weight: 192.57 EC Number: 806-518-0

GRADE & PURITY ≥98%

Synonyms

2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1) | SCHEMBL1289973 | SY121034 | 1171331-39-7 | 2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride, AldrichCPR | AMY37883 | C4H8ClF3N2O | 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochlori

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application

Reactant in the synthesis of isoxazoline indolizine amides.

Specifications

Synonyms

2-Amino-N-(2, 2, 2-trifluoroethyl)acetamide hydrochloride (1:1) | SCHEMBL1289973 | SY121034 | 1171331-39-7 | 2-Amino-N-(2, 2, 2-trifluoroethyl)acetamide hydrochloride, AldrichCPR | AMY37883 | C4H8ClF3N2O | 2-amino-N-(2, 2, 2-trifluoroethyl)acetamide;hydrochlori

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770210
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770210
• Canonical Smiles: C(C(=O)NCC(F)(F)F)N.Cl
• IUPAC Name: 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
• InChIKey: DBNFKWRZLGVLSH-UHFFFAOYSA-N
• INCHI: 1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
• Isomeric SMILES: C(C(=O)NCC(F)(F)F)N.Cl
• Molecular Weight: 192.57
• Reaxy-Rn: 9004148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9004148&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Secondary carboxylic acid amides Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - Carboxamide group - Secondary carboxylic acid amide - Alkyl fluoride - Hydrocarbon derivative - Hydrochloride - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

• Molecular Weight: 192.570 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 192.028 Da
• Monoisotopic Mass: 192.028 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 122.000
• 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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