2,6-Diethylaniline - analytical standard, ≥99.5%(GC) , CAS No.579-66-8

CAS: 579-66-8 Cat. No.: D105962 Summenformel: C₁₀H₁₅N Molekulargewicht: 149.23 Beilstein Registry Number: 1423626 EG-Nummer: 209-445-7

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

InChI=1/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H | 2,6-Diethylaniline, 98% | 2,6-Diethylaniline, >=99.5% | 2,6-Diethylbenzenamine | 2,6-Diethyl-Benzenamine | 2,6-diethylphenylamine | NCGC00254454-01 | A831688 | Q209276 | Benzenamine, 2,6-die

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

InChI=1/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H | 2,6-Diethylaniline, 98% | 2,6-Diethylaniline, >=99.5% | 2,6-Diethylbenzenamine | 2,6-Diethyl-Benzenamine | 2,6-diethylphenylamine | NCGC00254454-01 | A831688 | Q209276 | Benzenamine, 2,6-die

Spezifikationen & Reinheit

analytical standard, ≥99.5%(GC)

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Note

Analytischer Standard

Reinheit

≥99.5%(GC)

Namen und Kennungen

• Pubchem Sid: 528755598
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528755598
• Kanonisches Lächeln: CCC1=C(C(=CC=C1)CC)N
• IUPAC Name: 2,6-diethylaniline
• InChIKey: FOYHNROGBXVLLX-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
• Isomere SMILES: CCC1=C(C(=CC=C1)CC)N
• WGK Deutschland: 2
• RTECS: BX3500000
• Molekulargewicht: 149.23
• Beilstein: 1423626
• Reaxy-Rn: 1423626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423626&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: substituted aniline

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Brechungsindex: 1.545
• Flammpunkt (°F): 115 °C
• Flammpunkt (°C): 115°C
• Siedepunkt (°C): 243°C
• Molekulargewicht: 149.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.400
• 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

Referenzen

1. Yikun Liu, Ning He, Yingfang Lu, Weiqiang Li, Xin He, Zhentao Li, Zilin Chen.  (2022)  A benzenesulfonic acid-modified organic polymer monolithic column with reversed-phase/hydrophilic bifunctional selectivity for capillary electrochromatography.  Journal of Pharmaceutical Analysis,      [PMID:36908858] [10.1016/j.jpha.2022.10.006]

2. Wanyu Chen, Siyuan Liu, Le Guo, Guixia Zhang, Heng Zhang, Meng Cao, Lili Wu, Tianxing Xiang, Yong Peng.  (2021)  A Self-Healing Ionic Liquid-Based Ionically Cross-Linked Gel Polymer Electrolyte for Electrochromic Devices.  Polymers,  13  (5): (742).  [PMID:33673624] [10.3390/polym13050742]

3. Jingxin Yang, Cheng Luo, Tingting Li, Jie Cao, Wenyi Dong, Ji Li, Jun Ma.  (2020)  Superfast degradation of refractory organic contaminants by ozone activated with thiosulfate: Efficiency and mechanisms.  WATER RESEARCH,      [PMID:32247997] [10.1016/j.watres.2020.115751]

4. Jingxin Yang, Ji Li, Wenyi Dong, Jun Ma, Jiayin Li.  (2016)  Influence of nitrite on the degradation of atrazine by ozonation.  JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,  92  (2): (442-450).  [PMID:] [10.1002/jctb.5031]

5. Jingxin Yang, Ji Li, Wenyi Dong, Jun Ma, Jie Cao, Tingting Li, Jiayin Li, Jia Gu, Pingxin Liu.  (2016)  Study on enhanced degradation of atrazine by ozonation in the presence of hydroxylamine.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:27232722] [10.1016/j.jhazmat.2016.04.078]

6. Dazhen Xiong, Huiyong Wang, Zhiyong Li, Jianji Wang.  (2012)  Recovery of Ionic Liquids with Aqueous Two-Phase Systems Induced by Carbon Dioxide.  ChemSusChem,  5  (11): (2255-2261).  [PMID:22952089] [10.1002/cssc.201200307]

7. Qifeng Li, Xiaoli Ma, Wenliang Yan, Ziyuan Pang, Congjian Ni, Yiwen Chen, Zhi Yang.  (2025)  Solid–Liquid Phase Equilibrium Characteristics and Thermodynamic Analysis of Asymmetric Schiff Base Ligands and Their Organic Phenol-Aluminum Compounds.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.5c00386]