Consensus flow list

Identity

Type
Molecular complex
CAS
23251-72-1
EC
245-524-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-hydroxy-n-(2-hydroxyethyl)ethanaminium Acetate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IDOGARCPIAAWMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H11NO2.C2H4O2/c6-3-1-5-2-4-7;1-2(3)4/h5-7H,1-4H2;1H3,(H,3,4)
IUPAC name chemrof:IUPAC_name Diethanolamine acetate
Molecular formula chemrof:molecular_formula C6H15NO4
Molecular mass chemrof:molecular_mass 165.189
Monoisotopic mass chemrof:monoisotopic_mass 165.100108
SMILES string chemrof:smiles_string CC(=O)O.OCCNCCO

Known URLs

8

Where 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=23251-72-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=71608-38-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.371 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2029323 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/06A4MH69XZ enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/159946 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24180697 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236192 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8444f637-39a4-49cb-bb05-f760cdedec21 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
19de8541-06b2-49cd-8711-2264013387c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a4775410-164d-428f-a867-e9910a4e33a7 Environmental → Air → Indoor EF 3.1 kg 4
2206a32b-ce7e-468c-9239-4e77b57ececb Environmental → Air → Long-term EF 3.1 kg 0
5d85f7e1-57ea-4424-808c-038838eee91b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
821e2fb0-b82d-4914-a866-9414545c8c5c Environmental → Air → Unknown EF 3.1 kg 4
9e91bb00-1ca4-4792-b1b0-8900de7ff709 Environmental → Ground → Agricultural EF 3.1 kg 4
8a549814-eba3-4ef0-9b30-41464dbe0bcb Environmental → Ground → Non-agricultural EF 3.1 kg 4
72d8bf41-17d6-459b-9299-61bd2a515308 Environmental → Ground → Unknown EF 3.1 kg 4
cf7e4fee-4947-45da-8bb2-e7ee43dbc84d Environmental → Water → Long-term EF 3.1 kg 0
2f2cf989-0dfb-4026-a274-46f9dcf9c5ff Environmental → Water → Ocean EF 3.1 kg 4
cd1a8300-c1bc-4b0d-a3b2-b7a6a643c09d Environmental → Water → Surface water EF 3.1 kg 4
13b534ba-3c74-477f-a78d-0f5751f26eb8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f81232c318cf06af",
  "prefLabel": [
    {
      "@value": "2-hydroxy-n-(2-hydroxyethyl)ethanaminium Acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Diethanolamine acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=23251-72-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethanolamine-acetic acid salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-iminobis-, acetate (1:1)",
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      }
    },
    {
      "@value": "Ethanol, 2,2′-iminobis-, acetate (salt)",
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    },
    {
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}

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