N-(2,6-Diethylphenylcarbamoylmethyl)iminodiacetic Acid - ≥98% , CAS No.63245-28-3

CAS: 63245-28-3 Cat. No.: N159408 Molecular Weight: 322.36
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
[[[(2,6-Diethylphenyl)carbamoyl]methyl]imino]diacetic acid | AG97125000 | FT-0766865 | SCHEMBL487233 | D89917 | NCGC00014819-02 | Tox21_110673_1 | AM10835 | DTXSID2045492 | EHIDA Kit | HMS1571M05 | HMS2234J19 | N-(Carboxymethyl)-N-[2-[(2,6-diethylphenyl)a
Storage
Room temperature,Argon charged,Desiccated,Cool
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
N159408-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$15.90
1g
N159408-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
5g
N159408-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$139.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged,Desiccated,Cool Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
[[[(2, 6-Diethylphenyl)carbamoyl]methyl]imino]diacetic acid | AG97125000 | FT-0766865 | SCHEMBL487233 | D89917 | NCGC00014819-02 | Tox21_110673_1 | AM10835 | DTXSID2045492 | EHIDA Kit | HMS1571M05 | HMS2234J19 | N-(Carboxymethyl)-N-[2-[(2, 6-diethylphenyl)a
Specifications & Purity
≥98%
Storage
Room temperature, Argon charged, Desiccated, Cool
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O
IUPAC Name2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid
InChIKeyWNIDXAKKFOKNEF-UHFFFAOYSA-N
INCHI1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)
Isomeric SMILES CCC1=C(C(=CC=C1)CC)NC(=O)CN(CC(=O)O)CC(=O)O
Molecular Weight 322.36
Reaxy-Rn 5121677
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5121677&ln=

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

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 Alpha amino acids  Anilides  N-arylamides  Dicarboxylic acids and derivatives  Trialkylamines  Secondary carboxylic acid amides  Amino acids  Carboxylic acids  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alpha-amino acid amide - Alpha-amino acid - Anilide - N-arylamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - 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 Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 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
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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
SensitivityAir sensitive
Melt Point(°C)190 °C(dec.)
Molecular Weight322.360 g/mol
XLogP3-1.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass322.153 Da
Monoisotopic Mass322.153 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity399.000
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
Reviews

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