(3-Phenoxyphenyl)methanamine - ≥95% , CAS No.50742-37-5

CAS: 50742-37-5 Cat. No.: P589302 Summenformel: C₁₃H₁₃NO Molekulargewicht: 199.25 PubChem CID: 1094836

QUALITÄT & REINHEIT ≥95%

Synonyms

BS-14014 | STK724636 | DTXSID20360254 | EN300-40013 | AKOS000131528 | 1-(3-phenoxyphenyl)methanamine | MFCD01631862 | OWIFNISFRBVGIX-UHFFFAOYSA-N | HMS1704E08 | (3-phenoxyphenyl)methanamine | Z239626476 | C77659 | BB 0216493 | (3-Phenoxyphenyl)methylamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

BS-14014 | STK724636 | DTXSID20360254 | EN300-40013 | AKOS000131528 | 1-(3-phenoxyphenyl)methanamine | MFCD01631862 | OWIFNISFRBVGIX-UHFFFAOYSA-N | HMS1704E08 | (3-phenoxyphenyl)methanamine | Z239626476 | C77659 | BB 0216493 | (3-Phenoxyphenyl)methylamine

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508806525

Kanonisches Lächeln

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN

IUPAC Name

(3-phenoxyphenyl)methanamine

InChIKey

OWIFNISFRBVGIX-UHFFFAOYSA-N

INCHI

1S/C13H13NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10,14H2

Isomere SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN

PubChem CID

1094836

Molekulargewicht

199.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Aralkylamine - Ether - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 199.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.1 Da
• Monoisotopic Mass: 199.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 177.000
• 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