N,N-Diethyl-m-toluidine - ≥99%(GC) , CAS No.91-67-8

CAS: 91-67-8 Cat. No.: D140168 Peso molecular: 163.26 Beilstein Registry Number: 12(4)1816 Número EC: 202-089-3

GRADE & PURITY ≥99%(GC)

Synonyms

3-Methyl-N,N-diethylbenzenamine | meta-Methyl(diethylamino)benzene | AKOS009031464 | N,N-Diethyl-m-toluidine, >=99.0% (GC) | Z104478590 | m-Toluidine, N,N-diethyl- | AI3-28462 | 3-(Diethylamino)toluene | D3868 | DTXCID5031183 | EINECS 202-089-3 | SCHEMBL4

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Methyl-N, N-diethylbenzenamine | meta-Methyl(diethylamino)benzene | AKOS009031464 | N, N-Diethyl-m-toluidine, >=99.0% (GC) | Z104478590 | m-Toluidine, N, N-diethyl- | AI3-28462 | 3-(Diethylamino)toluene | D3868 | DTXCID5031183 | EINECS 202-089-3 | SCHEMBL4

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488183829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183829
• Sonrisas canónicas: CCN(CC)C1=CC=CC(=C1)C
• IUPAC Name: N,N-diethyl-3-methylaniline
• InChIKey: CIPVVROJHKLHJI-UHFFFAOYSA-N
• INCHI: 1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
• Isómeros SMILES: CCN(CC)C1=CC=CC(=C1)C
• WGK Alemania: 2
• RTECS: CX9869375
• Peso molecular: 163.26
• Beilstein: 12(4)1816
• Reaxy-Rn: 878995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878995&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 212 °F
• Punto de inflamación (°C): 100 °C
• Punto de ebullición (°C): 107°C/11mmHg
• Peso molecular: 163.260 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136 Da
• Monoisotopic Mass: 163.136 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 118.000
• 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