5-(aminomethyl)-N-methylfuran-2-carboxamide , CAS No.1210706-38-9

CAS: 1210706-38-9 Cat. No.: A1354702 Peso molecular: 190.63 PubChem CID: 44141692

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: CNC(=O)C1=CC=C(O1)CN
• IUPAC Name: 5-(aminomethyl)-N-methylfuran-2-carboxamide
• InChIKey: FGDPZSJGKXOHEM-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O2/c1-9-7(10)6-3-2-5(4-8)11-6/h2-3H,4,8H2,1H3,(H,9,10)
• Isómeros SMILES: CNC(=O)C1=CC=C(O1)CN
• PubChem CID: 44141692
• Peso molecular: 190.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Sugar amino acids and derivatives
            • Level7 Furanoid amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Sugar amino acids and derivatives
• Direct Parent: Furanoid amino acids and derivatives
• Alternative Parents: Furoic acid and derivatives 2-heteroaryl carboxamides Aralkylamines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furanoid amino acid - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aralkylamine - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
• 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: 154.170 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.074 Da
• Monoisotopic Mass: 154.074 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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: 1