2-(Dimethylamino)benzonitrile - ≥98% , CAS No.20925-24-0

CAS: 20925-24-0 Cat. No.: D182706 Fórmula: C₉H₁₀N₂ Peso molecular: 146.19

CALIDAD & PUREZA ≥98%

Synonyms

A879346 | N,N-Dimethylanthranilonitrile | Benzonitrile, (dimethylamino)- | SY021589 | 2-Dimethylamino-benzonitrile | DTXSID20943187 | MFCD01313389 | AKOS000261887 | NSC204964 | NSC-204964 | SB75447 | PS-5826 | SCHEMBL148781 | BB 0258792 | dimethylaminoben

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

A879346 | N,N-Dimethylanthranilonitrile | Benzonitrile, (dimethylamino)- | SY021589 | 2-Dimethylamino-benzonitrile | DTXSID20943187 | MFCD01313389 | AKOS000261887 | NSC204964 | NSC-204964 | SB75447 | PS-5826 | SCHEMBL148781 | BB 0258792 | dimethylaminoben

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CN(C)C1=CC=CC=C1C#N

IUPAC Name

2-(dimethylamino)benzonitrile

InChIKey

OEULOFHGYOFYEC-UHFFFAOYSA-N

INCHI

1S/C9H10N2/c1-11(2)9-6-4-3-5-8(9)7-10/h3-6H,1-2H3

Isómeros SMILES

CN(C)C1=CC=CC=C1C#N

Peso molecular

146.19

Reaxy-Rn

2083935

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083935&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzonitrile - Tertiary amine - Nitrile - Carbonitrile - 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 benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: Light sensitive
• Peso molecular: 146.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.084 Da
• Monoisotopic Mass: 146.084 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 166.000
• 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