(4-Fluorophenyl)(oxolan-2-yl)methanamine - ≥98% , CAS No.1016495-59-2

CAS: 1016495-59-2 Cat. No.: F1308909 Peso molecular: 195.23 Número EC: 889-869-2 PubChem CID: 24689362

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC(OC1)C(C2=CC=C(C=C2)F)N
• IUPAC Name: (4-fluorophenyl)-(oxolan-2-yl)methanamine
• InChIKey: JMAZFLXMFDYVDN-UHFFFAOYSA-N
• INCHI: 1S/C11H14FNO/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10-11H,1-2,7,13H2
• Isómeros SMILES: C1CC(OC1)C(C2=CC=C(C=C2)F)N
• PubChem CID: 24689362
• Peso molecular: 195.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aralkylamines Aryl fluorides Oxolanes Oxacyclic compounds Dialkyl ethers Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Oxolane - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene 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: 195.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.106 Da
• Monoisotopic Mass: 195.106 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1