1,4-Cyclohexanediamine, cis- (CED0029031)

Record Information

Version

1.0

Creation Date

2016-05-19 03:22:24 UTC

Update Date

2026-08-23 07:15:36 UTC

Accession Number

CHEM010429

Identification

Common Name

1,4-Cyclohexanediamine, cis-

Class

Small Molecule

Description

1,4-Cyclohexanediamine, cis- is an organic nitrogen compound with the chemical formula C6H14N2 and an average molecular weight of 114.19 g/mol. 1,4-Cyclohexanediamine, cis- belongs to the cyclohexylamines, a subclass of organonitrogen compounds within the organic compounds. This substance is found in or released from 17 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, auxiliary devices, coils, communication cables or conductors, and contacts, among seven other sources. In the realm of household cleaning and consumer products, it is linked to bleaching agents, soap detergents, and cigar cigarettes. Additionally, the compound is identified in building and construction materials, specifically floors, as well as in food, food processing and cookware, where it is related to the processing of meats.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2HCl;(cis)-isomer OF 1,4-diaminocyclohexane	MeSH
2HCl;(trans)-isomer OF 1,4-diaminocyclohexane	MeSH
(trans)-Isomer OF 1,4-diaminocyclohexane	MeSH
(cis)-Isomer OF 1,4-diaminocyclohexane	MeSH
1,4-Diaminocyclohexane	MeSH
cis-1,4-Diaminocyclohexane	MeSH
1,4-Cyclohexyldiamine	MeSH

Chemical Formula

C₆H₁₄N₂

Average Molecular Mass

114.192 g/mol

Monoisotopic Mass

114.116 g/mol

CAS Registry Number

15827-56-2

IUPAC Name

cyclohexane-1,4-diamine

Traditional Name

1,4-diaminocyclohexane

SMILES

NC1CCC(N)CC1

InChI Identifier

InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2

InChI Key

VKIRRGRTJUUZHS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Cyclohexylamines

Direct Parent

Cyclohexylamines

Alternative Parents

Substituents

Cyclohexylamine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Amine
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic 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

Property	Value	Source
Water Solubility	86.5 g/L	ALOGPS
logP	-0.13	ALOGPS
logP	-0.32	ChemAxon
logS	-0.12	ALOGPS
pKa (Strongest Basic)	10.75	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	52.04 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	34.26 m³·mol⁻¹	ChemAxon
Polarizability	13.83 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-5900000000-97a48fb6232c28b1e374	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014j-8900000000-922fabca52ecb9dc3da6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0aw9-9000000000-86e08356896557bd7840	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0900000000-4f8250166b9c28947aa1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-2900000000-82de103e38fce852e159	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9400000000-927d26d1d3bb187c9e16	Not Available	View Spectrum

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
264.0	Log mg/kg	[150:470]	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
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
582	Aircraft Carriers	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
656	Snap Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	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	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	0.0778492
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	0.0778492
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	0.0778492
Click to view 3D structure	Ornithine aminotransferase, mitochondrial	P04181	Humans	Predicted (SEA)	23.1212
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	4066.77
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	6008.64
Click to view 3D structure	Matrix protein 2	P06821	Influenza A virus	Predicted (SEA)	0.311397
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	7382.99
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	7480.14
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7618.87
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	7536.74
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	7460.99
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	6600.76
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	7549.35
Click to view 3D structure	Cyclin-dependent kinase 7	P50613	Humans	Predicted (SEA)	7408.29
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	7607.43
Click to view 3D structure	Cyclin-dependent kinase 9	P50750	Humans	Predicted (SEA)	7522.18
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	7512.61
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	7321.72
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	7630.86
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	7611.63
Click to view 3D structure	Serine/threonine-protein kinase pim-2	Q9P1W9	Humans	Predicted (SEA)	7574.57
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	7638.1
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	7630.08
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	7642.61