(S)-1-methyl-2-phenylethylamine sulfate (CED0131093)

Record Information

Version

1.0

Creation Date

2026-04-05 17:27:56 UTC

Update Date

2026-04-05 17:27:56 UTC

Accession Number

CHEM104819

Identification

Common Name

(S)-1-methyl-2-phenylethylamine sulfate

Class

Small Molecule

Description

(S)-1-methyl-2-phenylethylamine sulfate belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified by the chemical formula C9H15NO4S and is classified under the superclass of benzenoids. It has been identified in or released from seven recorded sources. These sources include building and construction materials, specifically ceilings, fencing, floors, roofs, stairs, and ramps. Additionally, the compound is associated with electrical and electronic equipment, where it has been found in amplifiers and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₅NO₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

233.072 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C9H13N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H2,1,2,3,4)

InChI Key

SOFQDLYSFOWTJX-QRPNPIFTSA-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
138.0	Log mg/kg	[80:250]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	7.39568
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	14.0129
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	1.01204
Click to view 3D structure	Trace amine-associated receptor 1	Q8HZ64	Macaca mulatta	Predicted (SEA)	0.233548
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	13.6236
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	10.4318
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	29.6606
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y8	Mus musculus	Predicted (SEA)	1.16774
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	4.51525
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y9	Rattus norvegicus	Predicted (SEA)	1.63483
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P30994	Rattus norvegicus	Predicted (SEA)	2.10193
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	20.7857
Click to view 3D structure	Solute carrier family 15 member 1	P46059	Humans	Predicted (SEA)	2.49118
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	3.19182
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	61.7344
Click to view 3D structure	Cytosol aminopeptidase	P00727	Bos taurus	Predicted (SEA)	9.34191
Click to view 3D structure	Mast cell carboxypeptidase A	P15088	Humans	Predicted (SEA)	1.86838
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	1.24559
Click to view 3D structure	Neprilysin	Q61391	Mus musculus	Predicted (SEA)	9.41976
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	21.7199
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	20.63
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	17.4382
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	206.923
Click to view 3D structure	Leukotriene A-4 hydrolase	P09960	Humans	Predicted (SEA)	13.8572
Click to view 3D structure	Leucine--tRNA ligase	Q2FXH2	Staphylococcus aureus (strain NCTC 8325)	Predicted (SEA)	1.55698