Consensus flow list

Identity

Type
Chemical salt
CAS
23328-71-4
EC
700-414-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium Chloride

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QMGAJHYFGBHHRR-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C24H52NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4;/h5-24H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name 1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride
Molecular formula chemrof:molecular_formula C24H52ClNO
Molecular mass chemrof:molecular_mass 406.139
Monoisotopic mass chemrof:monoisotopic_mass 405.373743
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C.[Cl-]

Known URLs

6

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=23328-71-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.560 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10177878 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LC1M3R2X4H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18519353 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27282908 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0cc6daad-12d5-42d5-b78e-5500bc1af327 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
814dab08-7fb4-47a2-9d2a-e9d61086f901 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
44bbc4a2-463a-43ef-a011-695ac224f3e9 Environmental → Air → Indoor EF 3.1 kg 4
87eb304d-166a-4cc4-848a-2140c201b80b Environmental → Air → Long-term EF 3.1 kg 0
cc60249c-7d37-41c3-8c98-4abb9366abb4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
914f4515-badd-492e-a710-901631c0d7de Environmental → Air → Unknown EF 3.1 kg 4
b0c890c5-d033-4bdb-b819-ff38708ab98e Environmental → Ground → Agricultural EF 3.1 kg 4
385607e8-c3bb-4428-a284-c723a6ef4570 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3ce6ff96-72a4-4473-8451-f93b27f0d4fd Environmental → Ground → Unknown EF 3.1 kg 4
dedac108-4ecf-4b72-8373-49d05039faa0 Environmental → Water → Long-term EF 3.1 kg 0
4fd4080f-262c-4d4f-970a-f5877cca48c4 Environmental → Water → Ocean EF 3.1 kg 4
5466fa88-2f2c-449b-8760-6627834019e1 Environmental → Water → Surface water EF 3.1 kg 4
b326db9c-9005-41fe-a174-839cfc3b4cb3 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-7a3fd237e776253d",
  "prefLabel": [
    {
      "@value": "N,n,n-trimethyl-3-(octadecyloxy)propan-1-ammonium Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride (1:1)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Octadecyloxypropyltrimethylammonium chloride",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Ammonium, trimethyl[3-(octadecyloxy)propyl]-, chloride",
      "@language": "en",
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    },
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        ],
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    },
    {
      "@value": "Stearoxypropyltrimonium chloride",
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}

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