Tetradodecylammonium nitrate , CAS No.63893-35-6

CAS: 63893-35-6 Cat. No.: T355633 Summenformel: C₄₈H₁₀₀N₂O₃ Molekulargewicht: 753.32 EG-Nummer: 264-548-4 PubChem CID: 3085281

Synonyms

UNII-801IIU6HOE | tetra-n-dodecylammonium nitrate | 801IIU6HOE | tetradodecylazanium;nitrate | Tetradodecylammonium nitrate, Selectophore(TM), >=99.0% | 1-DODECANAMINIUM, N,N,N-TRIDODECYL-, NITRATE (1:1) OTHER NAMES | Tetradodecylammonium nitrate | DTXSID

Storage

Room temperature

Shipped In

Normal

Übersicht

Ion-pair suitable for a nitrate-selective field-effect transistor membrane.

Spezifikationen

Synonyme

UNII-801IIU6HOE | tetra-n-dodecylammonium nitrate | 801IIU6HOE | tetradodecylazanium;nitrate | Tetradodecylammonium nitrate, Selectophore(TM), >=99.0% | 1-DODECANAMINIUM, N,N,N-TRIDODECYL-, NITRATE (1:1) OTHER NAMES | Tetradodecylammonium nitrate | DTXSID

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[N+](=O)([O-])[O-]

IUPAC Name

tetradodecylazanium;nitrate

InChIKey

AHQMUYHFUYRUJV-UHFFFAOYSA-N

INCHI

1S/C48H100N.NO3/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3)4/h5-48H2,1-4H3;/q+1;-1

Isomere SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[N+](=O)([O-])[O-]

PubChem CID

3085281

Molekulargewicht

753.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organic oxoanionic compounds
      • Subclass Organic nitrates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organic oxoanionic compounds
• Subclass: Organic nitrates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic nitrates
• Alternative Parents: Tetraalkylammonium salts Organic nitro compounds Organic nitric acids Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrate - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic nitrates. These are organic compounds containing the nitrate oxoanion, with the formula NO3-.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 753.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 44
• Exact Mass: 752.773 Da
• Monoisotopic Mass: 752.773 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 487.000
• 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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