α-NETA - ≥97% , CAS No.31059-54-8

CAS: 31059-54-8 Cat. No.: N344157 분자식: C₁₆H₂₀INO 분자량: 369.24 PubChem CID: 169245

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥97%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥97%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

169245

분자량

369.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in methanol.
• 분자량: 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