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1-[3-(triethoxysilyl)propyl]urea

fo-0eff8323525dc66d

Identity

Type
Neutral molecule
CAS
23779-32-0
EC
245-876-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-[3-(triethoxysilyl)propyl]urea

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LVNLBBGBASVLLI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H24N2O4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H3,11,12,13)
IUPAC name chemrof:IUPAC_name 1-[3-(triethoxysilyl)propyl]urea
Molecular formula chemrof:molecular_formula C10H24N2O4Si
Molecular mass chemrof:molecular_mass 264.398
Monoisotopic mass chemrof:monoisotopic_mass 264.150534
SMILES string chemrof:smiles_string CCO[Si](CCCNC(N)=O)(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=23779-32-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.691 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044493 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187819 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3SHT6V963O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.801K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90258 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q21547138 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q72510592 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07f45f91-a566-469a-a704-37c30fc53a8a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e59e1384-50bd-4331-9097-22ba3be03059 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
42720639-4c17-46af-b829-2f16950f5eb6 Environmental → Air → Indoor EF 3.1 kg 4
ea985efd-70b6-4a22-b0d8-5e6fab1d76ef Environmental → Air → Long-term EF 3.1 kg 0
1f91e664-1a8c-44fb-a56c-8db0c06428e3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
42ce6719-4da8-4a3c-b7e8-24886d8b2b72 Environmental → Air → Unknown EF 3.1 kg 4
55cee506-94d6-4fd0-b8b5-929b8cd5d1de Environmental → Ground → Agricultural EF 3.1 kg 4
aebedd47-3d79-479e-bc00-29aed7b16b99 Environmental → Ground → Non-agricultural EF 3.1 kg 4
31837fcb-4a4c-4f2e-adb2-1b864c1cd586 Environmental → Ground → Unknown EF 3.1 kg 4
1e77893e-01cc-49c9-ade7-006f52be8691 Environmental → Water → Long-term EF 3.1 kg 0
ae2b3fc4-ad67-47c9-a0d4-30dde0056570 Environmental → Water → Ocean EF 3.1 kg 4
ec1af447-ff75-488a-93b1-3661b9f831a7 Environmental → Water → Surface water EF 3.1 kg 4
89c78b9b-4ad8-486e-acb6-ed5b24c413ac 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 
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        "prov:wasDerivedFrom": "pubchem.identifiers[23779-32-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "07f45f91-a566-469a-a704-37c30fc53a8a",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "23779-32-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=23779-32-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=23779-32-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "245-876-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=245-876-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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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

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