Difenoxurone - analytical standard , CAS No.14214-32-5

CAS: 14214-32-5 Cat. No.: D114672 Summenformel: C₁₆H₁₈N₂O₃ Molekulargewicht: 286.33 Beilstein Registry Number: 5574828 EG-Nummer: 238-068-0

GRADE & PURITY Analytical standard

Synonyms

AKOS015904102 | Difenoxurone | C74279E50O | UREA, 3-(P-(P-METHOXYPHENOXY)PHENYL)-1,1-DIMETHYL- | N'-(4-(4-Methoxyphenoxy)phenyl)-N,N-dimethylurea | N-(4-(4-Methoxyphenoxy)phenyl)-N,N-dimethylurea | 3-(4-(4-Methoxyphenoxy)phenyl)-1,1-dimethylurea | AMVYOVY

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015904102 | Difenoxurone | C74279E50O | UREA, 3-(P-(P-METHOXYPHENOXY)PHENYL)-1,1-DIMETHYL- | N'-(4-(4-Methoxyphenoxy)phenyl)-N,N-dimethylurea | N-(4-(4-Methoxyphenoxy)phenyl)-N,N-dimethylurea | 3-(4-(4-Methoxyphenoxy)phenyl)-1,1-dimethylurea | AMVYOVY

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Kanonisches Lächeln: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC
• IUPAC Name: 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea
• InChIKey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
• Isomere SMILES: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC
• WGK Deutschland: 3
• RTECS: YT0180000
• Molekulargewicht: 286.33
• Beilstein: 5574828
• Reaxy-Rn: 5574828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5574828&ln=

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 N-phenylureas Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - N-phenylurea - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carbonic acid derivative - Urea - Ether - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 138-139°C
• Molekulargewicht: 286.330 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 286.132 Da
• Monoisotopic Mass: 286.132 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 319.000
• 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