Consensus flow list

N-[3-(trimethoxysilyl)propyl]butan-1-amine

fo-874e348ea6ed4e69

Identity

Type
Neutral molecule
CAS
31024-56-3
EC
250-437-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-[3-(trimethoxysilyl)propyl]butan-1-amine

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XCOASYLMDUQBHW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H25NO3Si/c1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h11H,5-10H2,1-4H3
IUPAC name chemrof:IUPAC_name N-[3-(trimethoxysilyl)propyl]butan-1-amine
Molecular formula chemrof:molecular_formula C10H25NO3Si
Molecular mass chemrof:molecular_mass 235.4
Monoisotopic mass chemrof:monoisotopic_mass 235.16037
SMILES string chemrof:smiles_string CCCCNCCC[Si](OC)(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=31024-56-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.838 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1067590 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.431H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160192 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72513868 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
44a4cd95-ff2c-4f1c-acf7-420a1105d556 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5e1aea94-1c40-40be-a861-a611ac5c50c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
acb17d55-0611-40c8-8a81-0539a5613aac Environmental → Air → Indoor EF 3.1 kg 4
a72a0446-07b8-42f2-8c23-9b285e6609d4 Environmental → Air → Long-term EF 3.1 kg 0
caf49c4a-889d-45a8-bbe7-4b4f6dc1b031 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a2903ee7-c98e-4755-821f-8fef961a850a Environmental → Air → Unknown EF 3.1 kg 4
2dce1105-fda9-4e17-8192-f5ab7064f4d9 Environmental → Ground → Agricultural EF 3.1 kg 4
c0625890-c285-4c42-8993-0d97335af931 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e5e81fb8-652f-4061-91c2-76873815a068 Environmental → Ground → Unknown EF 3.1 kg 4
e2e7ca6b-6d87-4a50-a785-0e4637e7dcce Environmental → Water → Long-term EF 3.1 kg 0
0bff2f7b-b960-484a-862e-65579e475a4d Environmental → Water → Ocean EF 3.1 kg 4
e242e850-3873-4cbe-a512-a703c5239aac Environmental → Water → Surface water EF 3.1 kg 4
a08b6405-0b23-46bd-93f9-81a89cd39733 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 
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    "seed_uuid": "0bff2f7b-b960-484a-862e-65579e475a4d",
    "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": [
        "31024-56-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=31024-56-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=31024-56-3"
        }
      ],
      "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": [
        "250-437-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=250-437-8"
      ],
      "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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