Trimethylphenylammonium Iodide - ≥99% , CAS No.98-04-4

CAS: 98-04-4 Cat. No.: T113597 Formula: C₉H₁₄IN Peso molecolare: 263.123 Beilstein Registry Number: 12(3)254 Numero EC: 202-630-3 PubChem CID: 94135

GRADE & PURITY ≥99%

Synonyms

Benzenaminium,N,N-trimethyl-, iodide | BS-42319 | Phenyltrimethylammonium iodide | Squalene-2,3-epoxide | Ammonium, phenyltrimethyl-, iodide | CROTONIC ACID, HEXYL ESTER | N,N-Trimethylanilinium iodide | trans-3,7-Dimethyl-2,6-octadienyl phenylacetate | H

Storage

Room temperature

Shipped In

Normal

Panoramica

Application

Phenyltrimethylammonium iodide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals；

Specifications

Sinonimi

Benzenaminium,N,N-trimethyl-, iodide | BS-42319 | Phenyltrimethylammonium iodide | Squalene-2,3-epoxide | Ammonium, phenyltrimethyl-, iodide | CROTONIC ACID, HEXYL ESTER | N,N-Trimethylanilinium iodide | trans-3,7-Dimethyl-2,6-octadienyl phenylacetate | H

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488186808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186808

Sorrisi canonici

C[N+](C)(C)C1=CC=CC=C1.[I-]

IUPAC Name

trimethyl(phenyl)azanium;iodide

InChIKey

KKLAORVGAKUOPZ-UHFFFAOYSA-M

INCHI

1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1

Isomeri SMILES

C[N+](C)(C)C1=CC=CC=C1.[I-]

RTECS

BT2450000

PubChem CID

94135

Numero UN

2811

Peso molecolare

263.123

Beilstein

12(3)254

Reaxy-Rn

3916752

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Quaternary ammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Obiettivi associati (umani)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APOBEC3A Tchem Probable DNA dC->dU-editing enzyme APOBEC-3A (890 Activities)

Discover Target: APOBEC3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

Discover Target: APOBEC3G

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water and methanol.
• Sensibilità: light sensitive&Moisture sensitive.
• Punto di fusione (°C): 227 °C
• Peso molecolare: 263.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.017 Da
• Monoisotopic Mass: 263.017 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 95.800
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98-04-4, the molecular formula is C9H14IN, and the molecular weight is 263.123 g/mol. InChIKey KKLAORVGAKUOPZ-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.