2-Furanetanamina - ≥97% , CAS No.1121-46-6

CAS: 1121-46-6 Cat. No.: A341735 Fórmula: C₆H₉NO Peso molecular: 111.14 Número EC: 601-166-2

GRADE & PURITY ≥97%

Synonyms

2-(2-Aminoetil)furano | 2-(2-furil)etanamina | 2-(2-Furil)etanamina, AldrichCPR | 2-(furano-2-il)etanamina | HMS1730K02 | 2-(2-furil)etanamina;2-Furanetanamina | Q27455516 | AM20080071 | ZQSLNSHMUQXSQJ-UHFFFAOYSA-N | AKOS000200580 | MFCD04113973 | 2-

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

2-(2-Aminoetil)furano | 2-(2-furil)etanamina | 2-(2-Furil)etanamina, AldrichCPR | 2-(furano-2-il)etanamina | HMS1730K02 | 2-(2-furil)etanamina;2-Furanetanamina | Q27455516 | AM20080071 | ZQSLNSHMUQXSQJ-UHFFFAOYSA-N | AKOS000200580 | MFCD04113973 | 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528756349

Sonrisas canónicas

C1=COC(=C1)CCN

IUPAC Name

2-(furan-2-yl)ethanamine

InChIKey

ZQSLNSHMUQXSQJ-UHFFFAOYSA-N

INCHI

1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2

Isómeros SMILES

C1=COC(=C1)CCN

Peso molecular

111.14

Reaxy-Rn

106959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: Aralkylamines Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - Aralkylamine - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): ~162.5° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 3.88° C (Predicted)
• Peso molecular: 111.140 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.068 Da
• Monoisotopic Mass: 111.068 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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