Diethanolamine
fo-544ef699e986e79e
Identity
- Type
- Neutral molecule
- CAS
- 111-42-2
- EC
- 203-868-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
32- 2,2'-iminodiethanol
- 2,2′-Azanediylbis(ethanol)
- 2,2′-Azanediyldiethanol
- 2,2′-Dihydroxydiethylamine
- 2,2′-Iminobis[ethanol]
- 2,2′-Iminodi-1-ethanol
- 2,2′-Iminodiethanol
- 2-[(2-Hydroxyethyl)amino]ethan-1-ol
- 2-[(2-Hydroxyethyl)amino]ethanol
- Bis(2-hydroxyethyl)amine
- Bis(hydroxyethyl)amine
- bis-(2-hydroxy-ethyl)-amine
- Dabco DEOA-LF
- DEAO-LF
- DEOA
- DEOA LF
- Di(2-hydroxyethyl)amine
- Di(β-hydroxyethyl)amine
- Diethanolamine 80
- diolamine
- Ethanol, 2,2′-iminobis-
- Ethanol, 2,2′-iminodi-
- H2dea
- Iminodiethanol
- N,N-Bis(2-hydroxyethyl)amine
- N,N-Di(2-hydroxyethyl)amine
- N,N-di(hydroxyethyl)amine
- N,N-Diethanolamine
- Niax DEOA-LF
- PC DEOA
- Tegoamin DEOA
- Tegoamin DEOA 85
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZBCBWPMODOFKDW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 |
| IUPAC name chemrof:IUPAC_name | Diethanolamine |
| Molecular formula chemrof:molecular_formula | C4H11NO2 |
| Molecular mass chemrof:molecular_mass | 105.137 |
| Monoisotopic mass chemrof:monoisotopic_mass | 105.078979, 105.07898 |
| SMILES string chemrof:smiles_string | OCCNCCO |
Known URLs
34Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=111-42-2 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/KL2D6518.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28123 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.517 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0618 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3021932 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB20489 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4959 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL119604 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AZE05TDV2V | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0004437 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2922.12.00.01 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J808G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06772 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02337 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06772 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02337 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-26236 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38524 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76748 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL119604 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8113 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3082 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018598 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12571685 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15304302 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23567043 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24275050 | enrich_references.chebi_xrefs |
| reaxys | reaxys:605315 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1362911 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0589 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q418437 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q72445977 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Diethanolamine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2152343-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a408-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7781748c-ce0a-4ff6-892d-b5da9d1275a7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a407-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a409-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a406-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8cee-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a40d-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8cef-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a40b-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a40e-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a40a-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a40c-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
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{
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{
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},
{
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{
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{
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},
{
"@value": "diolamine",
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{
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{
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{
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{
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},
{
"@value": "N,N-Bis(2-hydroxyethyl)amine",
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{
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{
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{
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{
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},
{
"@value": "PC DEOA",
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},
{
"@value": "Tegoamin DEOA",
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},
{
"@value": "Tegoamin DEOA 85",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works