1,2-Ethanediamine (CED0001554)

Record Information

Version

1.0

Creation Date

2016-05-19 01:35:25 UTC

Update Date

2026-05-14 19:41:58 UTC

Accession Number

CHEM004128

Identification

Common Name

1,2-Ethanediamine

Class

Small Molecule

Description

1,2-Ethanediamine (C2H8N2) is an organic compound with an average molecular weight of 60.10 g/mol. 1,2-Ethanediamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. In industrial applications, the compound serves as a tracer. Regarding its biological activity, there is one recorded protein target for 1,2-Ethanediamine, which acts as an inhibitor of Dihydropteroate synthase (folP). The compound is found in or released from 35 recorded sources across various sectors. Within electrical and electronic equipment, it is associated with antennas, amplifiers, coils, communication cables or conductors, and auxiliary devices, among 19 other items. Its presence in household cleaning and consumer products includes bleaching agents, soap dispensers, soap detergents, perfumes within detergents and soaps, and cigar cigarettes. In the context of food, cookware, and food processing, 1,2-Ethanediamine is linked to the processing of meats, food preservation, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is found in building and construction materials, specifically ladders.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
en	ChEBI
1,2-diamino-Ethaan	HMDB
1,2-diamino-Ethano	HMDB
1,2-Diaminoaethan	HMDB
1,2-Diaminoethane	HMDB, MeSH
1,2-Ethanediamine, homopolymer	HMDB
1,2-Ethanediamine, hydrochloride (1:1)	HMDB
1,2-Ethanediamine, monohydrochloride	HMDB
1,2-Ethylenediamine	HMDB
2-Aminoethylammonium chloride	HMDB
333-18-6 (Di-hydrochloride)	HMDB
5700-49-2 (Di-hydriodide)	HMDB
624-59-9 (Di-hydrobromide)	HMDB
Aethaldiamin	HMDB
Aethylenediamin	HMDB
Algicode 106l	HMDB
Amerstat 274	HMDB
beta-Aminoethylamine	HMDB
Diaminoethane	HMDB
Dimethylenediamine	HMDB
ETHANE,1,2-diamino	HMDB
Ethane-1,2-diamine	HMDB, MeSH
Ethyleendiamine	HMDB
Ethylendiamine	HMDB
Ethylene diamine	HMDB
Ethylene-diamine	HMDB
Ethylenediamine	HMDB
Ethylenediamine anhydrous	HMDB
Ethylenediamine, 8ci	HMDB
Ethylenediamine, piperazine polymer	HMDB
H2NCH2CH2NH2	HMDB
Ethylenediamine (1:1) sulfite	MeSH, HMDB
Ethylenediamine dihydroiodide	MeSH, HMDB
Ethylenediamine dihydrochloride	MeSH, HMDB
Ethylenediamine dinitrate	MeSH, HMDB
Ethylenediamine phosphate	MeSH, HMDB
Ethylenediamine sulfate	MeSH, HMDB
Ethylenediamine (1:1) sulfate	MeSH, HMDB
Ethylenediamine conjugate acid	MeSH, HMDB
Ethylenediamine monohydrochloride	MeSH, HMDB
Edamine	MeSH, HMDB
Ethyl diamine	MeSH, HMDB
Ethylenediamine dihydrobromide	MeSH, HMDB
Ethylenediamine dihydrogen iodide	MeSH, HMDB
Ethylenediamine hydrochloride	MeSH, HMDB
Ethylenediamine, 3H-labeled CPD	MeSH, HMDB
1,2-Ethanediamine	ChEBI

Chemical Formula

C₂H₈N₂

Average Molecular Mass

60.098 g/mol

Monoisotopic Mass

60.069 g/mol

CAS Registry Number

107-15-3

IUPAC Name

ethane-1,2-diamine

Traditional Name

ethylenediamine

SMILES

NCCN

InChI Identifier

InChI=1S/C2H8N2/c3-1-2-4/h1-4H2

InChI Key

PIICEJLVQHRZGT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Monoalkylamines

Alternative Parents

Substituents

Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alkane-alpha,omega-diamine (CHEBI:30347 )
an amine (CPD-3682 )

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	560 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-1.4	ChemAxon
logS	0.97	ALOGPS
pKa (Strongest Basic)	9.69	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	52.04 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	17.87 m³·mol⁻¹	ChemAxon
Polarizability	7.08 Å³	ChemAxon
Number of Rings	0	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
GC-MS	GC-MS Spectrum	splash10-001i-9000000000-7161cac69670b52ad6d8	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-001i-9000000000-7161cac69670b52ad6d8	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-001i-9000000000-be1b3bae0b04dd47d3f2	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-422bce57d01a5c4b40da	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ox-9000000000-2adab4e206e74c6e4cdd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-10122dff1e9e2c5162ff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-185f0df78bd120a2a575	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-474231ecdf536795c15a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9000000000-91445cb26017bea53317	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-9cf36baccac69593c69f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-9cf36baccac69593c69f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-9cf36baccac69593c69f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-268d8f24426d56d27838	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-a0ca1f5037bdb751c6e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-c17155690cadde11117d	Not Available	View Spectrum
MS	MS Spectrum	splash10-0udi-9000000000-eea8b0eac54fc00ef1d7	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	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
253.0	Log mg/kg	[140:450]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
498	Ladders	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	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
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	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
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	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
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
588	Inflatable Life Saving Equipment	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
591	Lifeboats	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	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
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide 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
663	Sanitary Equipment	Wastewater, sanitation & biosolids	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	Spermine synthase	Q3SZA5	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q8BZ09	Mus musculus	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	244.602
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	450.903
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	237.207
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	343.082
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	258.07
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	4.04816
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	540.429
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1489.88
Click to view 3D structure	Ornithine decarboxylase	P09057	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	486.324
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	1106.78
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	4018.5
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	1073.54
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	30.3612
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	12.7673
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	1663.02
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	P30191	Rattus norvegicus	Predicted (SEA)	2.56902
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	6640.62
Click to view 3D structure	Trace amine-associated receptor 1	Q923Y9	Rattus norvegicus	Predicted (SEA)	1346.25
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7576.99
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	7263.64
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	5666.33
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7213.35