CID 122243 - 200-400 mesh, 2 % cross-linked with divinylbenzene , CAS No.122243

CAS: 122243 Cat. No.: C1365866 Formule: C₉H₂₀N₃+ Poids moléculaire: 170.28

GRADE & PURITY 200-400 mesh, 2 % cross-linked with divinylbenzene

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

200-400 mesh, 2 % cross-linked with divinylbenzene

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

CCN=C=NCCC[N+](C)(C)C

InChIKey

JHMDMCSGQQLHNA-UHFFFAOYSA-N

INCHI

1S/C9H20N3/c1-5-10-9-11-7-6-8-12(2,3)4/h5-8H2,1-4H3/q+1

Poids moléculaire

170.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Carbodiimides Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Carbodiimide - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 170.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.166 Da
• Monoisotopic Mass: 170.166 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 1
• Complexity: 161.000
• 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