Tetrapropylammonium iodide - ≥98% , CAS No.631-40-3

CAS: 631-40-3 Cat. No.: T102826 Molecular Weight: 313.26 Beilstein Registry Number: 3567386 EC Number: 211-157-1 PubChem CID: 12429

GRADE & PURITY ≥98%

Synonyms

WLN: 3K3&3&3 &I | MFCD00011842 | 1-Propanaminium,N,N-tripropyl-, iodide | Tetra-N-propylammonium iodide | Tetra-n-propyl-ammonium iodide | W-104932 | NSC 36747 | tetrapropylazanium;iodide | DTXSID30883343 | FT-0657667 | tetrapropylazanium iodide | Ammoniu

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

WLN: 3K3&3&3 &I | MFCD00011842 | 1-Propanaminium, N, N-tripropyl-, iodide | Tetra-N-propylammonium iodide | Tetra-n-propyl-ammonium iodide | W-104932 | NSC 36747 | tetrapropylazanium;iodide | DTXSID30883343 | FT-0657667 | tetrapropylazanium iodide | Ammoniu

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC[N+](CCC)(CCC)CCC.[I-]
• IUPAC Name: tetrapropylazanium;iodide
• InChIKey: GKXDJYKZFZVASJ-UHFFFAOYSA-M
• INCHI: 1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCC[N+](CCC)(CCC)CCC.[I-]
• WGK Germany: 3
• RTECS: BS8410000
• PubChem CID: 12429
• Molecular Weight: 313.26
• Beilstein: 3567386
• Reaxy-Rn: 3567386

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic.light sensitive
• Melt Point(°C): 280-285°C
• Molecular Weight: 313.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 313.127 Da
• Monoisotopic Mass: 313.127 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 80.200
• 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

XLogP3

References

1. Yan-Qing Zhang, De-Kun Ma, Yan-Ge Zhang, Wei Chen, Shao-Ming Huang.  (2013)  N-doped carbon quantum dots for TiO2-based photocatalysts and dye-sensitized solar cells.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2013.07.010]