3-Ethoxyaniline - ≥98% , CAS No.621-33-0

CAS: 621-33-0 Cat. No.: E101872 Formula: C₂H₅OC₆H₄NH₂ Molecular Weight: 137.18 Beilstein Registry Number: 971028 EC Number: 210-680-2

GRADE & PURITY ≥98%

Synonyms

3-Ethoxyaniline, 98% | 3-Ethoxybenzenamine | CCRIS 4696 | NSC9817 | NSC-9817 | CAS-621-33-0 | SMR001307326 | m-Ethoxyaniline | FT-0629003 | UNII-XE9KKL972R | 3-Phenetidine | NSC 9817 | NCGC00258550-01 | 3-ETHOXYANILINE | 3-ethoxy-aniline | s10428 | Z23960

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

3-Ethoxyaniline was used as starting reagent in the synthesis of 1,2,3,4-tetrahydroacridinylhydrazides.

Specifications

Synonyms

3-Ethoxyaniline, 98% | 3-Ethoxybenzenamine | CCRIS 4696 | NSC9817 | NSC-9817 | CAS-621-33-0 | SMR001307326 | m-Ethoxyaniline | FT-0629003 | UNII-XE9KKL972R | 3-Phenetidine | NSC 9817 | NCGC00258550-01 | 3-ETHOXYANILINE | 3-ethoxy-aniline | s10428 | Z23960

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181552
• Canonical Smiles: CCOC1=CC=CC(=C1)N
• IUPAC Name: 3-ethoxyaniline
• InChIKey: WEZAHYDFZNTGKE-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
• Isomeric SMILES: CCOC1=CC=CC(=C1)N
• WGK Germany: 3
• RTECS: SI5400000
• UN Number: 2311
• Packing Group: III
• Molecular Weight: 137.18
• Beilstein: 971028
• Reaxy-Rn: 971028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971028&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)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

Discover Target: BAZ2B

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Light sensitive
• x_refractive_index: 1.566
• x_flash_point_drop_fahrenheit: 235.4 °F
• x_flash_point_drop_centigrade: 113 °C
• x_boil_point_char: 248°C
• Molecular Weight: 137.180 g/mol
• XLogP3: 1.300
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 621-33-0, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey WEZAHYDFZNTGKE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.