2-ethylaminoethanol
fo-605d61962eb98cfa
Identity
- Type
- Neutral molecule
- CAS
- 110-73-6
- EC
- 203-797-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- (2-Hydroxyethyl)ethylamine
- 2-(Ethylamino)ethanol
- 2-(Monoethylamino)ethanol
- 2-(N-Ethylamino)ethanol
- Amino Alcohol MEM
- Ethanol, 2-(ethylamino)-
- N-(2-Hydroxyethyl)-N-ethylamine
- N-(2-Hydroxyethyl)ethylamine
- N-Ethyl-2-aminoethanol
- N-Ethyl-N-(2-hydroxyethyl)amine
- N-Ethyl-N-(β-hydroxyethyl)amine
- N-Ethylethanolamine
- N-Ethylmonoethanolamine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MIJDSYMOBYNHOT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-ethylaminoethanol |
| Molecular formula chemrof:molecular_formula | C4H11NO |
| Molecular mass chemrof:molecular_mass | 89.138 |
| Monoisotopic mass chemrof:monoisotopic_mass | 89.084064 |
| SMILES string chemrof:smiles_string | CCNCCO |
Known URLs
10Where 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=110-73-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.453 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021922 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188262 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1G0G2TK41H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244944 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.881I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8072 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1993 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27252375 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 582592f2-7fc8-4ff2-9c8b-6775fc8a8adf | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| cba4da20-1f1a-4311-9708-99b87e40d175 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d3bec895-f524-415d-9913-f3ccab3bff66 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 39b843c2-0853-4be9-8435-fad2754078ce | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d078c08e-8ea8-4e7e-8d64-7785f9b9da99 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| b8791deb-4e9a-4435-855a-fe0196085748 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| bd5c376e-929c-4f13-ba9b-67cac8f4255f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| bd09c39f-18ca-48b6-843f-bbe68f616bd1 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| ce34de6f-cfa4-4716-9ce7-eaf72357403a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 2376e3ce-f99a-4fdb-a4d3-9c9b882ca4ac | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c39cb7c0-56de-4eb9-89c7-a4a05bb4b66a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ded17b72-5da5-47a3-ba64-1743ae355b6f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 1306c568-2040-4d49-9672-0d3da83ff44b | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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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