2-Ethoxyaniline - ≥98% , CAS No.94-70-2

CAS: 94-70-2 Cat. No.: E100407 Molecular Weight: 137.18 Beilstein Registry Number: 637069 EC Number: 202-356-4

GRADE & PURITY ≥98%

Synonyms

NCGC00091388-01 | PHENETIDINE, O- | F87373 | 2-Aminophenetole | NCGC00091388-02 | SMR001307334 | AKOS000102651 | HMS3039A17 | O-PHENETIDINE [MI] | BIDD:GT0222 | BRN 0637069 | ETHOXYANILINE | DTXSID5025863 | I76155S2AA | AI3-09043 | o-Ethoxyaniline | 1-Ami

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

NCGC00091388-01 | PHENETIDINE, O- | F87373 | 2-Aminophenetole | NCGC00091388-02 | SMR001307334 | AKOS000102651 | HMS3039A17 | O-PHENETIDINE [MI] | BIDD:GT0222 | BRN 0637069 | ETHOXYANILINE | DTXSID5025863 | I76155S2AA | AI3-09043 | o-Ethoxyaniline | 1-Ami

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180335
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180335
• Canonical Smiles: CCOC1=CC=CC=C1N
• IUPAC Name: 2-ethoxyaniline
• InChIKey: ULHFFAFDSSHFDA-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
• Isomeric SMILES: CCOC1=CC=CC=C1N
• WGK Germany: 2
• RTECS: SI6465300
• UN Number: 2311
• Packing Group: III
• Molecular Weight: 137.18
• Beilstein: 637069
• Reaxy-Rn: 637069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

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

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Ether,Alcohol
• Sensitivity: Light & Air sensitive.
• Refractive Index: 1.555
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 231-233°C
• Melt Point(°C): -4°C
• Molecular Weight: 137.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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. Kaisheng Yao, Zhiyong Li, Xinying Li, Weiwei Lu, Airong Xu, Hucheng Zhang, Jianji Wang.  (2017)  Tunable Synthesis of Ag Films at the Interface of Ionic Liquids and Water by Changing Cationic Structures of Ionic Liquids.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.6b01196]

2. Hang Li, Kaisheng Yao, Tianhang Liu, Tianhang Han, Qi Wang, Aozhou Wang, Weiwei Lu.  (2024)  Facile interfacial synthesis of thin AuPd alloy nanowires for plasmon-enhanced selective photocatalytic oxidation of benzyl alcohol.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2024.115588]