2,2'-Methylenedianiline (CED0050691)

Record Information

Version

1.0

Creation Date

2026-04-03 08:46:30 UTC

Update Date

2026-08-18 23:41:34 UTC

Accession Number

CHEM062992

Identification

Common Name

2,2'-Methylenedianiline

Class

Small Molecule

Description

2,2'-Methylenedianiline is an organic compound with the formula C13H14N2 and an average molecular weight of 198.27 g/mol. 2,2'-Methylenedianiline belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. The compound is associated with six recorded sources, including food contact materials and food, food processing, and cookware. It is also found in or released from electrical and electronic equipment, specifically magnets, power cables, coils, antennas, and loudspeakers. Recorded routes of exposure for this substance include oral, inhalation, and touch. In the context of plastics, 2,2'-Methylenedianiline has been released in polyamide, while it was not detected in polystyrene or polypropylene.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₄N₂

Average Molecular Mass

198.269 g/mol

Monoisotopic Mass

198.116 g/mol

CAS Registry Number

6582-52-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NC1=C(CC2=C(N)C=CC=C2)C=CC=C1

InChI Identifier

InChI=1S/C13H14N2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,14-15H2

InChI Key

OHKOAJUTRVTYSW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Aniline or substituted anilines
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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
633.0	Log mg/kg	[360:1100]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
494	Food contact materials	Food, food processing & cookware	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	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	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	91.7842
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	429.494
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2370.82
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	888.805
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	1006.28
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y9	Rattus norvegicus	Predicted (SEA)	40.9487
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1297.51
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	57.4527
Click to view 3D structure	Myeloperoxidase	P11247	Mus musculus	Predicted (SEA)	10.4318
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	238.608
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	55.4286
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	2414.49
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1068.56
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	210.66
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	500.493
Click to view 3D structure	Interferon alpha/beta receptor 1	P17181	Humans	Predicted (SEA)	9.34191
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	569.467
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	3406.76
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	932.556
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3099.49
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	1090.67
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1439.9
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	147.135
Click to view 3D structure	Dihydrofolate reductase	Q8Z9J9	Salmonella enterica subsp. enterica serovar Typhi	Predicted (SEA)	46.6317
Click to view 3D structure	Dihydrofolate reductase	P00381	Lactobacillus casei	Predicted (SEA)	154.453