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

CAS: 50742-37-5 Cat. No.: P589302 Formule: C₁₃H₁₃NO Poids moléculaire: 199.25 PubChem CID: 1094836

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508806525

Sourires canoniques

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

Isomères SMILES

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

PubChem CID

1094836

Poids moléculaire

199.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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