2-Methyl-6-ethylaniline - ≥98% , CAS No.24549-06-2

CAS: 24549-06-2 Cat. No.: M113273 Summenformel: C₉H₁₃N Molekulargewicht: 135.21 Beilstein Registry Number: 2079468 EG-Nummer: 246-309-6

GRADE & PURITY ≥98%

Synonyms

2-Methyl-6-ethyl aniline | A817360 | InChI=1/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H | NCGC00259351-01 | DTXCID407833 | 2-ETHYL-6-METHYL ANILINE | Tox21_201802 | AKOS000119156 | EN300-19095 | CAS-24549-06-2 | 2-ETHYL-6-METHYLANILINE | 2-Ethyl-6-m

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Product Application:

2-Ethyl-6-methylaniline was used in the preparation of racemic esters of N-(2-ethyl-6-methylphenyl)alanine (NEMPA).

Specifications

Synonyme

2-Methyl-6-ethyl aniline | A817360 | InChI=1/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H | NCGC00259351-01 | DTXCID407833 | 2-ETHYL-6-METHYL ANILINE | Tox21_201802 | AKOS000119156 | EN300-19095 | CAS-24549-06-2 | 2-ETHYL-6-METHYLANILINE | 2-Ethyl-6-m

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183189
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183189
• Kanonisches Lächeln: CCC1=CC=CC(=C1N)C
• IUPAC Name: 2-ethyl-6-methylaniline
• InChIKey: JJVKJJNCIILLRP-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
• Isomere SMILES: CCC1=CC=CC(=C1N)C
• WGK Deutschland: 2
• RTECS: BY5600000
• Molekulargewicht: 135.21
• Beilstein: 2079468
• Reaxy-Rn: 2079468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079468&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - 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 aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive,light sensitive
• Brechungsindex: 1.552
• Flammpunkt (°F): 192.2 °F
• Flammpunkt (°C): 89 °C
• Siedepunkt (°C): 231°C
• Schmelzpunkt (°C): -33°C
• Molekulargewicht: 135.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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