(4-Ethoxyphenyl)urea - ≥98% , CAS No.150-69-6

CAS: 150-69-6 Cat. No.: E156210 分子式: C₉H₁₂N₂O₂ 分子量: 180.21 EC番号: 205-767-7

GRADE & PURITY ≥98%

Synonyms

1-(4-Ethoxyphenyl)urea | NSC1839 | NSC-1839 | p-Phenetolcarbamid | Urea, N-(4-ethoxyphenyl)- | 4-ETHOXYPHENYLUREA | 4-Ethoxy-phenylurea | EINECS 205-767-7 | p-Ethoxyfenylmocovina | Sucrol | WLN: ZVMR DO2 | C19415 | Dulcine | SMR000065473 | p-Ethoxyfenylmo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

1-(4-Ethoxyphenyl)urea | NSC1839 | NSC-1839 | p-Phenetolcarbamid | Urea, N-(4-ethoxyphenyl)- | 4-ETHOXYPHENYLUREA | 4-Ethoxy-phenylurea | EINECS 205-767-7 | p-Ethoxyfenylmocovina | Sucrol | WLN: ZVMR DO2 | C19415 | Dulcine | SMR000065473 | p-Ethoxyfenylmo

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504751780
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751780
• カノニカル・スマイル: CCOC1=CC=C(C=C1)NC(=O)N
• IUPAC Name: (4-ethoxyphenyl)urea
• InChIKey: GGLIEWRLXDLBBF-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
• 異性体SMILES: CCOC1=CC=C(C=C1)NC(=O)N
• RTECS: YT2275000
• 分子量: 180.21
• Reaxy-Rn: 2096445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096445&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Ureas Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Phenol ether - Phenoxy compound - Alkyl aryl ether - Urea - Carbonic acid derivative - Ether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: ureas

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

関連ターゲット（人間）

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

関連ターゲット（非人間）

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat Sensitive
• 融点（°C）: 170 °C
• 分子量: 180.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.09 Da
• Monoisotopic Mass: 180.09 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• 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

参考文献

1. Ferry Saputra, Yu-Heng Lai, Rey Arturo T. Fernandez, Allan Patrick G. Macabeo, Hong-Thih Lai, Jong-Chin Huang, Chung-Der Hsiao.  (2021)  Acute and Sub-Chronic Exposure to Artificial Sweeteners at the Highest Environmentally Relevant Concentration Induce Less Cardiovascular Physiology Alterations in Zebrafish Larvae.  Biology-Basel,  10  (6): (548).  [PMID:34207293] [10.3390/biology10060548]