1-amino-3,3-difluoro-N-methyl-cyclobutanecarboxamide hydrochloride - ≥97% , CAS No.2193057-39-3

CAS: 2193057-39-3 Cat. No.: A632067 PubChem CID: 134285060

GRADE & PURITY ≥97%

Synonyms

2193057-39-3 | 1-amino-3,3-difluoro-N-methyl-cyclobutanecarboxamide hydrochloride | 1-Amino-3,3-difluoro-N-methylcyclobutane-1-carboxamide hydrochloride | starbld0038308 | SCHEMBL19900748 | MFCD31690858 | PB41958 | AS-79349 | P20108 | EN300-1722474 | 1-Am

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2193057-39-3 | 1-amino-3, 3-difluoro-N-methyl-cyclobutanecarboxamide hydrochloride | 1-Amino-3, 3-difluoro-N-methylcyclobutane-1-carboxamide hydrochloride | starbld0038308 | SCHEMBL19900748 | MFCD31690858 | PB41958 | AS-79349 | P20108 | EN300-1722474 | 1-Am

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CNC(=O)C1(CC(C1)(F)F)N.Cl
• IUPAC Name: 1-amino-3,3-difluoro-N-methylcyclobutane-1-carboxamide;hydrochloride
• InChIKey: LUBUWCXASDSZDG-UHFFFAOYSA-N
• INCHI: 1S/C6H10F2N2O.ClH/c1-10-4(11)5(9)2-6(7,8)3-5;/h2-3,9H2,1H3,(H,10,11);1H
• PubChem CID: 134285060

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: N-acyl amines Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Fatty acyl - N-acyl-amine - Fatty amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 200.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 200.053 Da
• Monoisotopic Mass: 200.053 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• 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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