Consensus flow list

Piperalin

fo-7f5dd713282e4778

Identity

Type
NeutralMolecule
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 
{
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      "@value": "1-Piperidinepropanol, 2-methyl-, 3,4-dichlorobenzoate (ester)",
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}

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