2-Amino-1-(3,4-difluorophenyl)ethanol - ≥95% , CAS No.10145-04-7

CAS: 10145-04-7 Cat. No.: B301098 Peso molecular: 173.15

GRADE & PURITY ≥95%

Synonyms

2-amino-1-(3,4-difluorophenyl)ethanol | 2-amino-1-(3,4-difluoro-phenyl)-ethanol | 2-amino-1-(3,4-difluorophenyl)-ethanol | Benzenemethanol, | Benzenemethanol, alpha-(aminomethyl)-3,4-difluoro- | C77696 | Z330910382 | AKOS000124033 | DTXSID90588049 | EN30

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-amino-1-(3, 4-difluorophenyl)ethanol | 2-amino-1-(3, 4-difluoro-phenyl)-ethanol | 2-amino-1-(3, 4-difluorophenyl)-ethanol | Benzenemethanol, | Benzenemethanol, alpha-(aminomethyl)-3, 4-difluoro- | C77696 | Z330910382 | AKOS000124033 | DTXSID90588049 | EN30

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1C(CN)O)F)F
• IUPAC Name: 2-amino-1-(3,4-difluorophenyl)ethanol
• InChIKey: CXJWXUGRWAXKAF-UHFFFAOYSA-N
• INCHI: 1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,12H,4,11H2
• Isómeros SMILES: C1=CC(=C(C=C1C(CN)O)F)F
• Peso molecular: 173.15
• Reaxy-Rn: 2967541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2967541&ln=

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 Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Alcohol - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic 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

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

• Peso molecular: 173.160 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.065 Da
• Monoisotopic Mass: 173.065 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1