2-[(2,6-dimethylphenyl)amino]-N,N,N-triethyl-2-oxoethanaminium , CAS No.D667799

CAS: D667799 Cat. No.: D667799 Molecular Weight: 263.4 PubChem CID: 3925
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Synonyms
QX-314 | QX 314 | 46ZIF6Y2X9 | N-ETHYLLIDOCAINE BROMIDE | CHEBI:46937 | 2-[(2,6-dimethylphenyl)amino]-N,N,N-triethyl-2-oxoethanaminium | 2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium | Tocris-1014 | Lopac-L-5783 | UPCMLD-DP014 | UNII-46ZI
Storage
Room temperature
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Size
Status
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1mg
D667799-1mg
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$571.90

$999.90
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5mg
D667799-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
QX-314 | QX 314 | 46ZIF6Y2X9 | N-ETHYLLIDOCAINE BROMIDE | CHEBI:46937 | 2-[(2, 6-dimethylphenyl)amino]-N, N, N-triethyl-2-oxoethanaminium | 2-((2, 6-Dimethylphenyl)amino)-N, N, N-triethyl-2-oxoethanaminium | Tocris-1014 | Lopac-L-5783 | UPCMLD-DP014 | UNII-46ZI
Storage
Room temperature
Product Properties
ALogP2.5
Names and Identifiers
Canonical SmilesCC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
InChIKeyPYEBKOFMWAMBFV-UHFFFAOYSA-O
INCHI1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1
Isomeric SMILES CC[N+](CC)(CC)CC(=O)NC1=C(C=CC=C1C)C
PubChem CID 3925
Molecular Weight 263.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid amides
Alternative Parents Anilides  m-Xylenes  N-arylamides  Tetraalkylammonium salts  Secondary carboxylic acid amides  Organopnictogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Amines  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alpha-amino acid amide - Anilide - N-arylamide - M-xylene - Xylene - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxamide group - Secondary carboxylic acid amide - Organic oxide - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors monocarboxylic acid amide
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a3 Solute carrier family 22 member 3 (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight263.400 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass263.212 Da
Monoisotopic Mass263.212 Da
Topological Polar Surface Area29.100 Ų
Heavy Atom Count19
Formal Charge1
Complexity268.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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