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

CAS: 24549-06-2 Cat. No.: M113273 Formule: C₉H₁₃N Poids moléculaire: 135.21 Beilstein Registry Number: 2079468 Numéro CE: 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

Vue d’ensemble

Product Application:

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

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488183189

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183189

Sourires canoniques

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

Isomères SMILES

CCC1=CC=CC(=C1N)C

WGK Allemagne

2

RTECS

BY5600000

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive,light sensitive
• Indice de réfraction: 1.552
• Point d'éclair (°F): 192.2 °F
• Point d'éclair (°C): 89 °C
• Point d'ébullition (°C): 231°C
• Point de fusion (°C): -33°C
• Poids moléculaire: 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