α-NETA - ≥97% , CAS No.31059-54-8

CAS: 31059-54-8 Cat. No.: N344157 Formule: C₁₆H₂₀INO Poids moléculaire: 369.24 PubChem CID: 169245

QUALITÉ & PURETÉ ≥97%

Synonyms

2-(beta-Naphthoyl)ethyltrimethylammonium iodide | DTXSID60953164 | AKOS040741094 | N,N,N-trimethyl-3-(naphthalen-2-yl)-3-oxopropan-1-aminium iodide | HY-124957 | 2-Naphthalenepropanaminium, N,N,N-trimethyl-gamma-oxo-, iodide (1:1) | trimethyl-(3-naphthale

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

α-NETA is a potent, fluorescent inhibitor of Choactase (choline acetyltransferase).

Spécifications

Synonymes

2-(beta-Naphthoyl)ethyltrimethylammonium iodide | DTXSID60953164 | AKOS040741094 | N,N,N-trimethyl-3-(naphthalen-2-yl)-3-oxopropan-1-aminium iodide | HY-124957 | 2-Naphthalenepropanaminium, N,N,N-trimethyl-gamma-oxo-, iodide (1:1) | trimethyl-(3-naphthale

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C[N+](C)(C)CCC(=O)C1=CC2=CC=CC=C2C=C1.[I-]

IUPAC Name

trimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium;iodide

InChIKey

LIFHUGCXEAQKRZ-UHFFFAOYSA-M

INCHI

1S/C16H20NO.HI/c1-17(2,3)11-10-16(18)15-9-8-13-6-4-5-7-14(13)12-15;/h4-9,12H,10-11H2,1-3H3;1H/q+1;/p-1

Isomères SMILES

C[N+](C)(C)CCC(=O)C1=CC2=CC=CC=C2C=C1.[I-]

WGK Allemagne

3

PubChem CID

169245

Poids moléculaire

369.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl alkyl ketones Beta-amino ketones Tetraalkylammonium salts Organopnictogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl alkyl ketone - Aryl ketone - Beta-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - Ketone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Solubilité: Soluble in methanol.
• Poids moléculaire: 369.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 369.059 Da
• Monoisotopic Mass: 369.059 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 292.000
• 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

XLogP3