Consensus flow list

Identity

Type
Neutral molecule
CAS
919-31-3
EC
213-050-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(triethoxysilyl)propanenitrile

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GBQYMXVQHATSCC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-(triethoxysilyl)propanenitrile
Molecular formula chemrof:molecular_formula C9H19NO3Si
Molecular mass chemrof:molecular_mass 217.341
Monoisotopic mass chemrof:monoisotopic_mass 217.11342
SMILES string chemrof:smiles_string CCO[Si](CCC#N)(OCC)OCC

Known URLs

9

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=919-31-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.864 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027334 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77092 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181996 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0I8R6D195F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.099D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13522 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236816 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8c10af01-a3c4-4156-9579-4f0cf684af94 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0bbde897-14b3-4fdf-ac68-274110ed19d3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6a990f78-3927-4612-91c2-e68036eae1e4 Environmental → Air → Indoor EF 3.1 kg 4
913cf89e-13b1-4642-a94f-aef2f2f5a9b8 Environmental → Air → Long-term EF 3.1 kg 0
eeab9bde-50a2-405c-b48f-a898eb22d044 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2becea19-c553-4261-a949-9ccd6abe93ef Environmental → Air → Unknown EF 3.1 kg 4
390a0ee7-dea4-4614-b638-d0ff927ebef2 Environmental → Ground → Agricultural EF 3.1 kg 4
04f56531-2ff5-453c-b9d8-6e4007cd3b3f Environmental → Ground → Non-agricultural EF 3.1 kg 4
0b4d8dec-a414-49c3-985c-afcc16eb9067 Environmental → Ground → Unknown EF 3.1 kg 4
5fbc03a9-199d-4e88-8014-ee9be8a6c444 Environmental → Water → Long-term EF 3.1 kg 0
6911f3f2-e1e1-4a81-8ea6-b2114fcb0beb Environmental → Water → Ocean EF 3.1 kg 4
1f2d1b94-562e-49d2-89b4-94ae1007f899 Environmental → Water → Surface water EF 3.1 kg 4
cb1a2015-ffa7-4b6b-9f73-38ec225de301 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9eeca81750796563",
  "prefLabel": [
    {
      "@value": "3-(triethoxysilyl)propanenitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Cyanoethyl)triethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(β-Cyanoethyl)triethoxysilane",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Triethoxysilyl)propionitrile",
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        ],
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      }
    },
    {
      "@value": "Cyanoethyltriethoxysilane",
      "@language": "en",
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    },
    {
      "@value": "Propanenitrile, 3-(triethoxysilyl)-",
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}

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