3-Ethoxy-N,N-diethylaniline - ≥95% , CAS No.1864-92-2

CAS: 1864-92-2 Cat. No.: E156346 Formule: C₁₂H₁₉NO Poids moléculaire: 193.29 Beilstein Registry Number: 13(4)970 Numéro CE: 217-469-4

GRADE & PURITY ≥95%

Synonyms

N,N-Diethyl-3-phenetidine | 3-Ethoxy-N,N-diethylaniline | NSC6262 | NSC-6262 | AKOS016846204 | m-Phenetidine, N,N-diethyl- | Benzenamine, 3-ethoxy-N,N-diethyl- | m-Phenetidine,N-diethyl- | 3-diethylaminophenetole | AS-59119 | D91430 | SCHEMBL1760671 | SY0

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

N,N-Diethyl-3-phenetidine | 3-Ethoxy-N,N-diethylaniline | NSC6262 | NSC-6262 | AKOS016846204 | m-Phenetidine, N,N-diethyl- | Benzenamine, 3-ethoxy-N,N-diethyl- | m-Phenetidine,N-diethyl- | 3-diethylaminophenetole | AS-59119 | D91430 | SCHEMBL1760671 | SY0

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488184953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184953
• Sourires canoniques: CCN(CC)C1=CC(=CC=C1)OCC
• IUPAC Name: 3-ethoxy-N,N-diethylaniline
• InChIKey: ODQSBWZDOSNPAH-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3
• Isomères SMILES: CCN(CC)C1=CC(=CC=C1)OCC
• Poids moléculaire: 193.29
• Beilstein: 13(4)970
• Reaxy-Rn: 909286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=909286&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Dialkylarylamines Aniline and substituted anilines Alkyl aryl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Tertiary amine - Ether - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.54
• Point d'éclair (°C): 79 °C
• Point d'ébullition (°C): 270°C(lit.)
• Poids moléculaire: 193.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.147 Da
• Monoisotopic Mass: 193.147 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 145.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 1864-92-2, the molecular formula is C12H19NO, and the molecular weight is 193.29 g/mol. InChIKey ODQSBWZDOSNPAH-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.