Prolonium iodide - ≥97% , CAS No.123-47-7

CAS: 123-47-7 Cat. No.: H694178 Molecular Weight: 430.11 EC Number: 204-630-9 PubChem CID: 67158

GRADE & PURITY ≥97%

Synonyms

2-Hydroxy-N1,N1,N1,N3,N3,N3-hexamethylpropane-1,3-diaminium iodide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Hydroxy-N1, N1, N1, N3, N3, N3-hexamethylpropane-1, 3-diaminium iodide

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CC(C[N+](C)(C)C)O.[I-].[I-]
• IUPAC Name: [2-hydroxy-3-(trimethylazaniumyl)propyl]-trimethylazanium;diiodide
• InChIKey: UOZDOLIXBYLRAC-UHFFFAOYSA-L
• INCHI: 1S/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
• Isomeric SMILES: C[N+](C)(C)CC(C[N+](C)(C)C)O.[I-].[I-]
• PubChem CID: 67158
• Molecular Weight: 430.11

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: Cholines
• Alternative Parents: Tetraalkylammonium salts Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Organic zwitterions Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organic zwitterion - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive, Hygroscopic
• Molecular Weight: 430.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 429.998 Da
• Monoisotopic Mass: 429.998 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 116.000
• 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: 3

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