1-(Dimethylamino)-2-nitroethylene - ≥97% , CAS No.1190-92-7

CAS: 1190-92-7 Cat. No.: D166333 Molecular Weight: 116.12 EC Number: 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

Store at 2-8°C

Shipped In

Wet ice

Overview

application：

1-(Dimethylamino)-2-nitroethylene undergoes addition-elimination reaction with indoles to form the corresponding 3-(2-nitrovinyl)indoles.

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759642
• Canonical Smiles: 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+
• Isomeric SMILES: CN(C)/C=C/[N+](=O)[O-]
• WGK Germany: 3
• Molecular Weight: 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
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 103-107 °C
• Molecular Weight: 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