Consensus flow list

Identity

Type
Neutral molecule
CAS
2526-62-7
EC
219-764-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 3-trimethoxysilylpropanenitrile

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KVUMYOWDFZAGPN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-trimethoxysilylpropanenitrile
Molecular formula chemrof:molecular_formula C6H13NO3Si
Molecular mass chemrof:molecular_mass 175.26
Monoisotopic mass chemrof:monoisotopic_mass 175.06647
SMILES string chemrof:smiles_string CO[Si](CCC#N)(OC)OC

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=2526-62-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.968 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3062493 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.100A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75660 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81990070 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
285628b8-a760-4c24-b29b-6d61f575c4cc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e8cdf7c-640c-42ff-842d-fe3e135d2c30 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d0438e1a-c2a3-49aa-83ad-76faa5efa50f Environmental → Air → Indoor EF 3.1 kg 4
04663206-627e-4cd8-8e7c-c3fea7cfed36 Environmental → Air → Long-term EF 3.1 kg 0
1bb1d5ba-f377-4747-92d9-d904e0b24afd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
db0bddd8-3876-4ef5-ad3a-ff5ab88c715f Environmental → Air → Unknown EF 3.1 kg 4
08706b9f-e5f5-4182-91e2-9cc3ffa9d074 Environmental → Ground → Agricultural EF 3.1 kg 4
6eb1422d-39ff-407e-90e0-ac6d61bd977c Environmental → Ground → Non-agricultural EF 3.1 kg 4
385af35c-b683-410b-9e1a-9f3ad1cc3074 Environmental → Ground → Unknown EF 3.1 kg 4
79db9df0-7542-42be-bc78-d055dcb501f2 Environmental → Water → Long-term EF 3.1 kg 0
03284b14-1292-4714-a4f0-56d001591741 Environmental → Water → Ocean EF 3.1 kg 4
491fb5ec-1219-43f8-aff3-53c60be16037 Environmental → Water → Surface water EF 3.1 kg 4
ef637ffe-7b4f-49e7-829e-c4505168aa0c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9b22a9cf1cf52626",
  "prefLabel": [
    {
      "@value": "3-trimethoxysilylpropanenitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Cyanoethyltrimethoxysilane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2526-62-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2526-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Trimethoxysilyl)propanenitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2526-62-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(Trimethoxysilyl)propionitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyanoethyltrimethoxysilane",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanenitrile, 3-(trimethoxysilyl)-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propionitrile, 3-(trimethoxysilyl)-",
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      }
    },
    {
      "@value": "SIC 2445.0",
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    },
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      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "03284b14-1292-4714-a4f0-56d001591741",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "@type": [
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  ]
}

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