Fenuron - ≥98% , CAS No.101-42-8

CAS: 101-42-8 Cat. No.: F298761 Summenformel: C₉H₁₂N₂O Molekulargewicht: 164.2 EG-Nummer: 202-941-4

GRADE & PURITY ≥98%

Synonyms

CAS-101-42-8 | HSDB 6639 | A897162 | Fenuron, PESTANAL(R), analytical standard | HEPTYLBUTYRATE | Fenulon | Fenuron 10 microg/mL in Acetonitrile | AKOS001178467 | AS-59690 | Croptex Chrome | Dyhard RU 300 | Fenuron [ANSI:BSI:ISO] | Fikure 62U | Fenuron;1,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CAS-101-42-8 | HSDB 6639 | A897162 | Fenuron, PESTANAL(R), analytical standard | HEPTYLBUTYRATE | Fenulon | Fenuron 10 microg/mL in Acetonitrile | AKOS001178467 | AS-59690 | Croptex Chrome | Dyhard RU 300 | Fenuron [ANSI:BSI:ISO] | Fikure 62U | Fenuron;1,

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504751392
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751392
• Kanonisches Lächeln: CN(C)C(=O)NC1=CC=CC=C1
• IUPAC Name: 1,1-dimethyl-3-phenylurea
• InChIKey: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
• Isomere SMILES: CN(C)C(=O)NC1=CC=CC=C1
• Molekulargewicht: 164.2
• Reaxy-Rn: 2208535
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208535&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isoureas Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Phenylurea herbicides

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

Zugehörige Ziele (menschlich)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

psbA Photosystem Q(B) protein (72 Activities)

Discover Target: psbA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 134～136℃
• Molekulargewicht: 164.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.095 Da
• Monoisotopic Mass: 164.095 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

Referenzen

1. Liu Yaqing, Lin Xiaodong, Ji Xiangyi, Hao Zhe, Tao Zhanhui.  (2020)  Smartphone-based enzyme-free fluorescence sensing of organophosphate DDVP.  MICROCHIMICA ACTA,  187  (7): (1-8).  [PMID:32613298] [10.1007/s00604-020-04384-7]