(2-Aminophenyl)methyl hydrogen sulfate (CED0054054)

Record Information

Version

1.0

Creation Date

2026-04-06 09:33:36 UTC

Update Date

2026-09-01 11:55:52 UTC

SynCED ID

CED0054054

Secondary Accession Numbers

CHEM121751

Identification

Common Name

(2-Aminophenyl)methyl hydrogen sulfate

Class

Small Molecule

Description

(2-Aminophenyl)methyl hydrogen sulfate is an organic compound with the chemical formula C7H9NO4S and an average molecular weight of 203.22 g/mol. (2-Aminophenyl)methyl hydrogen sulfate belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Other recorded sources include lubricants used in energy, oil and gas as well as industrial manufacturing and chemical processing, food packaging within the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. One additional sector is also recorded as a source. Recorded exposure routes for this substance include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₉NO₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

203.025 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC=C(C(=C1)COS(=O)(=O)O)N

InChI Identifier

InChI=1S/C7H9NO4S/c8-7-4-2-1-3-6(7)5-12-13(9,10)11/h1-4H,5,8H2,(H,9,10,11)

InChI Key

XBOBNEOJIDFIIU-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

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
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	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	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.364 Statistical Significance 0.0795 Supporting Reference Compounds 472 E-value 618.668
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.364 Statistical Significance 0.0655 Supporting Reference Compounds 407 E-value 509.835
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.364 Statistical Significance 0.0648 Supporting Reference Compounds 332 E-value 504.619
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.364 Statistical Significance 0.014 Supporting Reference Compounds 68 E-value 108.989
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.364 Statistical Significance 0.0442 Supporting Reference Compounds 242 E-value 344.483
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.364 Statistical Significance 0.0295 Supporting Reference Compounds 193 E-value 229.889
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.364 Statistical Significance 0.0778 Supporting Reference Compounds 372 E-value 605.901
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.364 Statistical Significance 0.0262 Supporting Reference Compounds 151 E-value 204.043
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.364 Statistical Significance 0.0128 Supporting Reference Compounds 60 E-value 99.4913
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.364 Statistical Significance 0.0406 Supporting Reference Compounds 172 E-value 315.756
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.364 Statistical Significance 0.0194 Supporting Reference Compounds 64 E-value 150.95
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.364 Statistical Significance 0.014 Supporting Reference Compounds 46 E-value 109.3
Click to view 3D structure	Kynureninase	Q16719	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.333 Statistical Significance 8.10e-04 Supporting Reference Compounds 2 E-value 6.30579
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.364 Statistical Significance 0.0341 Supporting Reference Compounds 157 E-value 265.699
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0161 Supporting Reference Compounds 55 E-value 125.026
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0082 Supporting Reference Compounds 40 E-value 63.525
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0089 Supporting Reference Compounds 38 E-value 69.5194
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0081 Supporting Reference Compounds 43 E-value 63.2136
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0082 Supporting Reference Compounds 41 E-value 63.525
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0081 Supporting Reference Compounds 41 E-value 63.2136
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.364 Statistical Significance 0.0201 Supporting Reference Compounds 78 E-value 156.477
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.364 Statistical Significance 0.0085 Supporting Reference Compounds 44 E-value 66.4832
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.364 Statistical Significance 0.0076 Supporting Reference Compounds 34 E-value 59.5547
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.364 Statistical Significance 0.0191 Supporting Reference Compounds 70 E-value 148.692
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.286 Low confidence Statistical Significance 0.2534 Supporting Reference Compounds 637 E-value 1972.62