2-(3,4-Difluorophenoxy)-N,N-dimethylethanamine - ≥97% , CAS No.1708924-47-3

CAS: 1708924-47-3 Cat. No.: D191488 Summenformel: C₁₀H₁₃F₂NO Molekulargewicht: 201.21 PubChem CID: 91754432

GRADE & PURITY ≥97%

Synonyms

AKOS025147271 | DS-8979 | SCHEMBL22831332 | Ethanamine, 2-(3,4-difluorophenoxy)-N,N-dimethyl- | 1708924-47-3 | 2-(3,4-Difluorophenoxy)-N,N-dimethylethanamine | SB78426 | DTXSID401232882

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS025147271 | DS-8979 | SCHEMBL22831332 | Ethanamine, 2-(3,4-difluorophenoxy)-N,N-dimethyl- | 1708924-47-3 | 2-(3,4-Difluorophenoxy)-N,N-dimethylethanamine | SB78426 | DTXSID401232882

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CN(C)CCOC1=CC(=C(C=C1)F)F

IUPAC Name

2-(3,4-difluorophenoxy)-N,N-dimethylethanamine

InChIKey

WSMIXUUFZKZBCX-UHFFFAOYSA-N

INCHI

1S/C10H13F2NO/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3

Isomere SMILES

CN(C)CCOC1=CC(=C(C=C1)F)F

PubChem CID

91754432

Molekulargewicht

201.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Trialkylamines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ether - Organohalogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 201.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 201.097 Da
• Monoisotopic Mass: 201.097 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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