Isocyanatomethylcyclohexane (CED0211506)

Record Information

Version

1.0

Creation Date

2026-08-24 14:30:48 UTC

Update Date

2026-08-24 14:30:48 UTC

Accession Number

CHEM250665

Identification

Common Name

Isocyanatomethylcyclohexane

Class

Small Molecule

Description

Isocyanatomethylcyclohexane is an organic nitrogen compound with the formula C8H13NO and an average molecular weight of 139.19 g/mol. Isocyanatomethylcyclohexane belongs to the isocyanates, a subclass of organonitrogen compounds within the organic compounds. This compound is identified as being found in or released from four recorded sources. These sources include building and construction materials, specifically floors, as well as electrical and electronic equipment, including antennas, magnets, and cores yokes or armatures.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₃NO

Average Molecular Mass

139.190 g/mol

Monoisotopic Mass

139.100 g/mol

CAS Registry Number

51163-24-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2

InChI Key

DUDXQIXWPJMPRQ-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

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
938.0	Log mg/kg	[530:1700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	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	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	4442.47
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	4779.09
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	5285.96
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	7319.07
Click to view 3D structure	Retinoid isomerohydrolase	Q28175	Bos taurus	Predicted (SEA)	257.214
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7120.63
Click to view 3D structure	Alcohol dehydrogenase 1A	P07327	Humans	Predicted (SEA)	10.1204
Click to view 3D structure	Dipeptidase 1	P16444	Humans	Predicted (SEA)	219.223
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	6803.01
Click to view 3D structure	Low-density lipoprotein receptor	P01130	Humans	Predicted (SEA)	880.397
Click to view 3D structure	Peptide deformylase	Q9F2F0	Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Predicted (SEA)	97.4672
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	7645.42
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH4	P08319	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Camphor 5-monooxygenase	P00183	Pseudomonas putida	Predicted (SEA)	6.85073
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	806.284
Click to view 3D structure	Bile salt-activated lipase	P19835	Humans	Predicted (SEA)	5.68299
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	784.798
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	2488.92
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	3940.73
Click to view 3D structure	Stromelysin-1	P08254	Humans	Predicted (SEA)	2740.37
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	4420.36
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	4847.44
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	4712.37
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	4379.64
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	4167.89