2-[3-(2,3-Dichlorophenoxy)propylamino]ethanol , CAS No.418788-90-6

CAS: 418788-90-6 Cat. No.: D668684 Molecular Weight: 264.14 PubChem CID: 2250975
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Synonyms
2,3-DCPE HYDROCHLORIDE | 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol | 2,3-DCPE | 2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethan-1-ol | NCGC00025354-01 | Tocris-2137 | CHEBI:104021 | AKOS022262869 | NCGC00025354-02 | PD070868 | EC-000.2079 | AB00089639-0
Storage
Room temperature
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1mg
D668684-1mg
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$571.90

$999.90
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5mg
D668684-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Specifications

Synonyms
2, 3-DCPE HYDROCHLORIDE | 2-[3-(2, 3-dichlorophenoxy)propylamino]ethanol | 2, 3-DCPE | 2-((3-(2, 3-Dichlorophenoxy)propyl)amino)ethan-1-ol | NCGC00025354-01 | Tocris-2137 | CHEBI:104021 | AKOS022262869 | NCGC00025354-02 | PD070868 | EC-000.2079 | AB00089639-0
Storage
Room temperature
Product Properties
ALogP2.4
Names and Identifiers
Canonical SmilesC1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO
IUPAC Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol
InChIKeyQVEIRCZEBQRCTR-UHFFFAOYSA-N
INCHI1S/C11H15Cl2NO2/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15/h1,3-4,14-15H,2,5-8H2
Isomeric SMILES C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO
PubChem CID 2250975
Molecular Weight 264.14

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Aryl chlorides  1,2-aminoalcohols  Dialkylamines  Primary alcohols  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Alkanolamine - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
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
TP53 Tchem Cellular tumor antigen p53 (48468 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
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
Molecular Weight264.140 g/mol
XLogP32.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass263.048 Da
Monoisotopic Mass263.048 Da
Topological Polar Surface Area41.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity183.000
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

Customer Reviews

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