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Piperalin

fo-7f5dd713282e4778

Identity

Type
Neutral molecule
CAS
3478-94-2
EC
222-455-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Piperalin

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BZGLBXYQOMFXAU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3
IUPAC name chemrof:IUPAC_name rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate
Molecular formula chemrof:molecular_formula C16H21Cl2NO2
Molecular mass chemrof:molecular_mass 330.249, 330.255
Monoisotopic mass chemrof:monoisotopic_mass 329.09493, 329.094934
SMILES string chemrof:smiles_string CC1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1

Known URLs

5

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
agr agr:IND23278988 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=3478-94-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83283 enrich_references.chebi_id_link
pesticides pesticides:piperalin enrich_references.chebi_xrefs
reaxys reaxys:1584693 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
42604729-e4de-430d-a4b8-1ec17284c6a0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eed0538c-378b-46bb-bfdb-45cb6a14df70 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
da8e05d4-28eb-427e-a35f-f3115c1c2672 Environmental → Air → Indoor EF 3.1 kg 2
0bb77b65-a04c-441c-a0d7-8c41b99d925a Environmental → Air → Long-term EF 3.1 kg 0
bcef2a96-6113-4932-aa3c-6794e8f125f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5ef39830-8466-4d5f-9a2a-1ab4cecf0bcd Environmental → Air → Unknown EF 3.1 kg 2
7f44fc45-481e-4fac-b665-875f0b0d8561 Environmental → Ground → Agricultural EF 3.1 kg 2
ec59fbb1-4835-493e-b960-d882ddfbcaa4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f07df4084cfe27b4a3a49f3cf5e4bf19302b42d5 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
79c207cf-875d-4a6a-aca2-6a01e3ce681b Environmental → Ground → Unknown EF 3.1 kg 2
a864f785-e21e-43b8-9e2d-f12c9473dbcb Environmental → Water → Long-term EF 3.1 kg 0
880b499b-13de-4dac-99c1-d19b06ca1d5a Environmental → Water → Ocean EF 3.1 kg 2
06b78dfc-bb50-4d38-824b-4833421ae039 Environmental → Water → Surface water EF 3.1 kg 2
adc35afd-dc8b-40b2-955e-f84c481cb2f4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7f5dd713282e4778",
  "prefLabel": [
    {
      "@value": "Piperalin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3478-94-2",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Piperidinepropanol, 2-methyl-, 3,4-dichlorobenzoate (ester)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(2-methylpiperidino)propyl 3,4-dichlorobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Benzoic acid, 3,4-dichloro-, 3-(2-methyl-1-piperidinyl)propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 3,4-dichloro-, 3-(2-methylpiperidino)propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=3478-94-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pipron",
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      "provenance": {
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      }
    },
    {
      "@value": "rac-3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "γ-(2-Methylpiperidino)propyl 3,4-dichlorobenzoate",
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  "properties": {
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      "@value": [
        "C16H21Cl2NO2"
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      "rdfs:label": "InChI",
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      ],
      "provenance": {
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  },
  "references": [
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    },
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  "created_from": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
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      "@value": "A racemate comprising equimolar amounts of (R)- and (S)-piperalin. A fungicide introduced in the 1960s for the control of powdery mildew on ornamental plants, shrubs, vines and trees grown in commercial greenhouses, it is no longer approved for use within the European Union.",
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    {
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    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
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      }
    }
  ]
}

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