1-(Dimetilamino)-2-nitroetileno - ≥97% , CAS No.1190-92-7

CAS: 1190-92-7 Cat. No.: D166333 Peso molecular: 116.12 Número EC: 628-409-5

GRADE & PURITY ≥97%

Synonyms

(E)-N,N-dimethyl-2-nitroethylenamine | BAA19092 | 1-(N,N-Dimethylamino)-2-nitroethylene | 1-(Dimethylamino)-2-nitroethene | 5-Methyl-1,10-phenanthrolinemonohydrate | l-dimethylamino-2-nitroethylene | SCHEMBL2539992 | DTXSID40878745 | BBL100552 | N,N-dimet

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

aplicación：

el 1-(dimetilamino)-2-nitroetileno experimenta una reacción de adición-eliminación con indoles para formar los correspondientes 3-(2-nitrovinil)indoles.

Specifications

Sinónimos

(E)-N, N-dimethyl-2-nitroethylenamine | BAA19092 | 1-(N, N-Dimethylamino)-2-nitroethylene | 1-(Dimethylamino)-2-nitroethene | 5-Methyl-1, 10-phenanthrolinemonohydrate | l-dimethylamino-2-nitroethylene | SCHEMBL2539992 | DTXSID40878745 | BBL100552 | N, N-dimet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759642
• Sonrisas canónicas: CN(C)C=C[N+](=O)[O-]
• IUPAC Name: (E)-N,N-dimethyl-2-nitroethenamine
• InChIKey: JKOVQYWMFZTKMX-ONEGZZNKSA-N
• INCHI: 1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
• Isómeros SMILES: CN(C)/C=C/[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 116.12
• Reaxy-Rn: 1903136
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903136&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: C-nitro compounds
• Alternative Parents: Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Enamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
• 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

• Punto de fusión (°C): 103-107 °C
• Peso molecular: 116.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 116.059 Da
• Monoisotopic Mass: 116.059 Da
• Topological Polar Surface Area: 49.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1