2-Amino-N,N-diethylacetamide hydrochloride - ≥97% , CAS No.108723-79-1

CAS: 108723-79-1 Cat. No.: A165847 Molecular Weight: 166.65 Beilstein Registry Number: 3687830 EC Number: 664-274-9

GRADE & PURITY ≥97%

Synonyms

FS-5361 | N,N-Diethylglycinamide hydrochloride | 2-Amino-N,N-diethyl acetamide hydrochloride | FT-0759004 | 2-AMINO-N,N-DIETHYL-ACETAMIDEHCL | 2-amino-N,N-diethylacetamide;hydrochloride | 2-Amino-N,N-diethylacetamidehydrochloride | J-002186 | 2-Amino-N,N-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

FS-5361 | N, N-Diethylglycinamide hydrochloride | 2-Amino-N, N-diethyl acetamide hydrochloride | FT-0759004 | 2-AMINO-N, N-DIETHYL-ACETAMIDEHCL | 2-amino-N, N-diethylacetamide;hydrochloride | 2-Amino-N, N-diethylacetamidehydrochloride | J-002186 | 2-Amino-N, N-

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199525
• Canonical Smiles: CCN(CC)C(=O)CN.Cl
• IUPAC Name: 2-amino-N,N-diethylacetamide;hydrochloride
• InChIKey: RKWHGMGYRWKDSF-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2O.ClH/c1-3-8(4-2)6(9)5-7;/h3-5,7H2,1-2H3;1H
• Isomeric SMILES: CCN(CC)C(=O)CN.Cl
• WGK Germany: 3
• Molecular Weight: 166.65
• Beilstein: 3687830
• Reaxy-Rn: 3687832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3687832&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: Tertiary carboxylic acid amides Quaternary ammonium salts Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - Quaternary ammonium salt - Tertiary carboxylic acid amide - Carboxamide group - Organic chloride salt - Organic salt - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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: 166.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.087 Da
• Monoisotopic Mass: 166.087 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.100
• 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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