2-[(3,4-dichlorophenyl)methylideneamino]ethanol (CED0316293)

Record Information

Version

1.0

Creation Date

2026-09-01 17:30:54 UTC

Update Date

2026-09-01 17:30:54 UTC

SynCED ID

CED0316293

Secondary Accession Numbers

CHEM362266

Identification

Common Name

2-[(3,4-dichlorophenyl)methylideneamino]ethanol

Class

Small Molecule

Description

2-[(3,4-dichlorophenyl)methylideneamino]ethanol is a chemical compound with the formula C9H9Cl2NO. It has an average molecular weight of 218.08 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉Cl₂NO

Average Molecular Mass

Not Available

Monoisotopic Mass

217.006 g/mol

CAS Registry Number

73927-26-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=C(C=C1C=NCCO)Cl)Cl

InChI Identifier

InChI=1S/C9H9Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5-6,13H,3-4H2

InChI Key

BLJGXQPGHLLDRO-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
787.0 Log mg/kg [440:1400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
No Sources linked to this compound

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Heme oxygenase	O69002	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.486 Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	Ceramide synthase 1	P27545	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Ceramide synthase 4	Q9HA82	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Ceramide synthase 6	Q6ZMG9	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Ceramide synthase 2	Q924Z4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Ceramide synthase 5	Q9D6K9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Ceramide synthase 1	P27544	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.244 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8154
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.294 Low confidence Statistical Significance 0.2225 Supporting Reference Compounds 425 E-value 1732.53
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.245 Low confidence Statistical Significance 0.3232 Supporting Reference Compounds 593 E-value 2516.01
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.245 Low confidence Statistical Significance 0.3215 Supporting Reference Compounds 506 E-value 2503.01
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.245 Low confidence Statistical Significance 0.3023 Supporting Reference Compounds 451 E-value 2353.15
Click to view 3D structure	Mediator of RNA polymerase II transcription subunit 15	Q6FRS9	Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 /NRRL Y-65) (Yeast) (Torulopsis glabrata)	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 1 E-value 35.9663
Click to view 3D structure	O-phosphoserine sulfhydrylase	P9WP53	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.229 Low confidence Statistical Significance 0.021 Supporting Reference Compounds 1 E-value 163.406
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.245 Low confidence Statistical Significance 0.8016 Supporting Reference Compounds 1498 E-value 6240.39
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.245 Low confidence Statistical Significance 0.7456 Supporting Reference Compounds 1130 E-value 5804.2
Click to view 3D structure	Kynurenine 3-monooxygenase	O88867	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.267 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 5 E-value 10.821
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.224 Low confidence Statistical Significance 0.6199 Supporting Reference Compounds 955 E-value 4825.72
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.234 Low confidence Statistical Significance 0.2623 Supporting Reference Compounds 297 E-value 2042.06
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.244 Low confidence Statistical Significance 0.5055 Supporting Reference Compounds 562 E-value 3935.28
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.234 Low confidence Statistical Significance 0.1781 Supporting Reference Compounds 203 E-value 1386.88
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.268 Low confidence Statistical Significance 0.3887 Supporting Reference Compounds 472 E-value 3025.77
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.226 Low confidence Statistical Significance 0.8659 Supporting Reference Compounds 1538 E-value 6741.12
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.25 Low confidence Statistical Significance 0.5962 Supporting Reference Compounds 553 E-value 4641.76
Click to view 3D structure	Large T antigen	P03070	Simian virus 40	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.256 Low confidence Statistical Significance 0.0507 Supporting Reference Compounds 78 E-value 394.929