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

CAS: 150-69-6 Cat. No.: E156210 Molecular Weight: 180.21 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751780
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751780
• Canonical Smiles: 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)
• Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)N
• RTECS: YT2275000
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

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

Associated Targets(Human)

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 170 °C
• Molecular Weight: 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

References

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]