3-Phenoxyaniline - ≥98% , CAS No.3586-12-7

CAS: 3586-12-7 Cat. No.: P169883 Summenformel: C₁₂H₁₁NO Molekulargewicht: 185.22 EG-Nummer: 222-715-9 PubChem CID: 77135

GRADE & PURITY ≥98%

Synonyms

BP-12864 | FT-0616309 | meta-phenoxyaniline | 3-phenoxyphenylamine | DTXSID8063092 | AS-46031 | NSC-57083 | SCHEMBL278938 | K14XXP3GJA | 3-(phenoxy)aniline | F0001-1031 | CL8437 | AMY38655 | 3-phenoxy aniline | 3-Phenoxyaniline | m-Phenoxyaniline | 3-(phe

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

BP-12864 | FT-0616309 | meta-phenoxyaniline | 3-phenoxyphenylamine | DTXSID8063092 | AS-46031 | NSC-57083 | SCHEMBL278938 | K14XXP3GJA | 3-(phenoxy)aniline | F0001-1031 | CL8437 | AMY38655 | 3-phenoxy aniline | 3-Phenoxyaniline | m-Phenoxyaniline | 3-(phe

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488185377

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185377

Kanonisches Lächeln

C1=CC=C(C=C1)OC2=CC=CC(=C2)N

IUPAC Name

3-phenoxyaniline

InChIKey

UCSYVYFGMFODMY-UHFFFAOYSA-N

INCHI

1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2

Isomere SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)N

PubChem CID

77135

Molekulargewicht

185.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Zugehörige Ziele (menschlich)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Brechungsindex: 1.1583
• Flammpunkt (°F): 230°F
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 329-330 °C
• Schmelzpunkt (°C): 35 - 44 °C
• Molekulargewicht: 185.220 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.084 Da
• Monoisotopic Mass: 185.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

Häufig gestellte Fragen

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

The CAS Number is 3586-12-7, the molecular formula is C12H11NO, and the molecular weight is 185.22 g/mol. InChIKey UCSYVYFGMFODMY-UHFFFAOYSA-N.

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.