2-((Bis(dimethylamino)methylene)amino)-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium chloride - ≥95% , CAS No.202282-59-5

CAS: 202282-59-5 Cat. No.: B191926 Peso molecular: 247.77 Número EC: 969-139-0

GRADE & PURITY ≥95%

Synonyms

1H-Imidazolium,2-[[bis(dimethylamino)methylene]amino]-4,5-dihydro-1,3-dimethyl-,chloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1H-Imidazolium, 2-[[bis(dimethylamino)methylene]amino]-4, 5-dihydro-1, 3-dimethyl-, chloride

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥95%

Nombres e identificadores

• Pubchem Sid: 504768076
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768076
• Sonrisas canónicas: CN1CCN(C1=NC(=[N+](C)C)N(C)C)C.[Cl-]
• IUPAC Name: [dimethylamino-[(1,3-dimethylimidazolidin-2-ylidene)amino]methylidene]-dimethylazanium;chloride
• InChIKey: QVGRHTJTTLMDTE-UHFFFAOYSA-M
• INCHI: 1S/C10H22N5.ClH/c1-12(2)9(13(3)4)11-10-14(5)7-8-15(10)6;/h7-8H2,1-6H3;1H/q+1;/p-1
• Isómeros SMILES: CN1CCN(C1=NC(=[N+](C)C)N(C)C)C.[Cl-]
• Peso molecular: 247.77
• Reaxy-Rn: 9879678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9879678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidines
• Alternative Parents: Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic chloride salts Imines Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazolidine - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Imine - Organic cation - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolidines. These are organic compounds containing an imidazolidine ring, which is a saturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only single bonds.
• 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

• Peso molecular: 247.770 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.156 Da
• Monoisotopic Mass: 247.156 Da
• Topological Polar Surface Area: 25.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 263.000
• 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: 2

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