(2-amino-3-methylphenyl)methanol (CED0068528)

Record Information

Version

1.0

Creation Date

2026-08-24 12:25:56 UTC

Update Date

2026-08-24 12:25:56 UTC

SynCED ID

CED0068528

Secondary Accession Numbers

CHEM249285

Identification

Common Name

(2-amino-3-methylphenyl)methanol

Class

Small Molecule

Description

(2-amino-3-methylphenyl)methanol is an organic compound with the formula C8H11NO and an average molecular weight of 137.18 g/mol. (2-amino-3-methylphenyl)methanol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This substance is classified as a benzenoid. It has been identified in or released from one recorded source: Building & Construction (Ladders).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₁NO

Average Molecular Mass

137.180 g/mol

Monoisotopic Mass

137.084 g/mol

CAS Registry Number

57772-50-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H11NO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5,9H2,1H3

InChI Key

FWTCWZZOKOBJIR-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
948.0 Log mg/kg [530:1700]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000498	Ladders?Ladders, commonly used in various construction and maintenance activities, can become a source of synthetic chemical contamination due to the materials and coatings applied during their manufacture and use.	Building & Construction	Not Available
CEDs000579	Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.	Industrial manufacturing & chemical processing	Not Available
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

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	Thioredoxin reductase 2, mitochondrial	Q9Z0J5	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.268 Low confidence Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.314 Statistical Significance 0.1565 Supporting Reference Compounds 686 E-value 1218.03
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.306 Statistical Significance 0.5014 Supporting Reference Compounds 1130 E-value 3903.59
Click to view 3D structure	Interferon alpha/beta receptor 1	P17181	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.238 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 11.2103
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.25 Low confidence Statistical Significance 0.0426 Supporting Reference Compounds 63 E-value 331.716
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.268 Low confidence Statistical Significance 0.0209 Supporting Reference Compounds 92 E-value 162.783
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.306 Statistical Significance 0.5519 Supporting Reference Compounds 825 E-value 4296.42
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.306 Statistical Significance 0.2142 Supporting Reference Compounds 407 E-value 1667.37
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.262 Low confidence Statistical Significance 0.1151 Supporting Reference Compounds 146 E-value 896.122
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.242 Low confidence Statistical Significance 0.1854 Supporting Reference Compounds 297 E-value 1443.4
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.314 Statistical Significance 0.7645 Supporting Reference Compounds 1498 E-value 5951.73
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.242 Low confidence Statistical Significance 0.1252 Supporting Reference Compounds 203 E-value 975.062
Click to view 3D structure	Chloride intracellular channel protein 1	O00299	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.229 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 1 E-value 46.5538
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.289 Low confidence Statistical Significance 0.1868 Supporting Reference Compounds 201 E-value 1454.22
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.236 Low confidence Statistical Significance 0.5305 Supporting Reference Compounds 798 E-value 4130.21
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.314 Statistical Significance 0.1285 Supporting Reference Compounds 139 E-value 1000.21
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.242 Low confidence Statistical Significance 0.334 Supporting Reference Compounds 451 E-value 2600.48
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.262 Low confidence Statistical Significance 0.0666 Supporting Reference Compounds 90 E-value 518.476
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.262 Low confidence Statistical Significance 0.0787 Supporting Reference Compounds 94 E-value 612.44
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.241 Low confidence Statistical Significance 0.6482 Supporting Reference Compounds 793 E-value 5046.5
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.306 Statistical Significance 0.1996 Supporting Reference Compounds 242 E-value 1553.64
Click to view 3D structure	Acetylcholinesterase	P37136	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.236 Low confidence Statistical Significance 0.1002 Supporting Reference Compounds 95 E-value 779.738
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.242 Low confidence Statistical Significance 0.0826 Supporting Reference Compounds 108 E-value 643.268
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.6301 Supporting Reference Compounds 967 E-value 4905.05
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.5948 Supporting Reference Compounds 754 E-value 4630.47