[1,1'-Biphenyl]-4-ol, 3-amino- (CED0123255)

Record Information

Version

1.0

Creation Date

2026-04-03 12:31:22 UTC

Update Date

2026-08-18 16:01:46 UTC

SynCED ID

CED0123255

Secondary Accession Numbers

CHEM064355

Identification

Common Name

[1,1'-Biphenyl]-4-ol, 3-amino-

Class

Small Molecule

Description

[1,1'-Biphenyl]-4-ol, 3-amino- is an organic compound with the formula C12H11N1O1 and an average molecular weight of 185.23 g/mol. [1,1'-Biphenyl]-4-ol, 3-amino- belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is classified under the benzenoids superclass. It has been found in or released from two recorded sources, specifically electrical and electronic equipment such as coils and hybrid capacitors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁N₁O₁

Average Molecular Mass

185.226 g/mol

Monoisotopic Mass

185.084 g/mol

CAS Registry Number

1134-36-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=C(O)C=CC(=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2

InChI Key

IGIDZGNPFWGICD-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
998.0 Log mg/kg [560:1800]	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
CEDs000508	Coils?Coils are components used in various electrical and electronic applications, such as transformers, inductors, and motors.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

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	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8933
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.432 Statistical Significance 0.0403 Supporting Reference Compounds 307 E-value 314.044
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.375 Statistical Significance 0.0125 Supporting Reference Compounds 174 E-value 97.7008
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.375 Statistical Significance 0.0019 Supporting Reference Compounds 39 E-value 15.1027
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.343 Statistical Significance 0.0904 Supporting Reference Compounds 637 E-value 703.601
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.324 Statistical Significance 0.1639 Supporting Reference Compounds 1274 E-value 1275.72
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.407 Applicability Domain 0.5 Statistical Significance 0.0186 Supporting Reference Compounds 1538 E-value 144.877
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	Prediction Confidence Score 0.406 Applicability Domain 0.5 Statistical Significance 6.20e-04 Supporting Reference Compounds 44 E-value 4.82665
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	Prediction Confidence Score 0.406 Applicability Domain 0.5 Statistical Significance 6.50e-04 Supporting Reference Compounds 42 E-value 5.0602
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.404 Applicability Domain 0.5 Statistical Significance 0.0077 Supporting Reference Compounds 825 E-value 60.1774
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.394 Applicability Domain 0.5 Statistical Significance 0.0195 Supporting Reference Compounds 1245 E-value 151.572
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.5 Statistical Significance 0.0106 Supporting Reference Compounds 793 E-value 82.2866
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.457 Statistical Significance 0.0258 Supporting Reference Compounds 497 E-value 201.085
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.379 Statistical Significance 0.0199 Supporting Reference Compounds 472 E-value 154.842
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.5 Statistical Significance 0.0026 Supporting Reference Compounds 150 E-value 20.0072
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.375 Statistical Significance 0.0185 Supporting Reference Compounds 332 E-value 144.255
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.322 Applicability Domain 0.5 Statistical Significance 0.0606 Supporting Reference Compounds 1130 E-value 471.688
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.379 Statistical Significance 0.0286 Supporting Reference Compounds 407 E-value 222.571
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.375 Statistical Significance 0.028 Supporting Reference Compounds 372 E-value 217.978
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.378 Statistical Significance 0.0522 Supporting Reference Compounds 553 E-value 406.451
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.414 Statistical Significance 0.0029 Supporting Reference Compounds 108 E-value 22.8877
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.326 Statistical Significance 0.0876 Supporting Reference Compounds 967 E-value 681.959
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.351 Statistical Significance 0.0425 Supporting Reference Compounds 389 E-value 330.626
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.375 Statistical Significance 0.0139 Supporting Reference Compounds 193 E-value 108.133
Click to view 3D structure	S-sulfocysteine synthase	Q79FV4	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.3 Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.7384