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1-(3-chlorophenyl)piperazine

fo-69c9b4cfa742927e

Identity

Type
Neutral molecule
CAS
6640-24-0
EC
229-654-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1-(3-chlorophenyl)piperazine

What it is used for

1

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VHFVKMTVMIZMIK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
IUPAC name chemrof:IUPAC_name 1-(3-chlorophenyl)piperazine
Molecular formula chemrof:molecular_formula C10H13ClN2
Molecular mass chemrof:molecular_mass 196.681
Monoisotopic mass chemrof:monoisotopic_mass 196.076726, 196.07673
SMILES string chemrof:smiles_string Clc1cccc(N2CCNCC2)c1

Known URLs

26

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=6640-24-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10588 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.959 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9045138 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12110 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49307 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL478 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/REY0CNO998 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061008 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.960F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11738 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11738 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-25627 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53539 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166280401 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/M84J2R7NRZ5M enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL478 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1355 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11311791 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18621591 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23768699 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24062697 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6827905 enrich_references.chebi_xrefs
reaxys reaxys:8409 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q286112 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Meta-Chlorophenylpiperazine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
46291938-57d5-432e-8f54-3bb17adf2c56 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4169f7c6-bf15-4dd4-a3b2-aef578470580 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
604f8489-a7af-4dc2-a004-eb42572ea760 Environmental → Air → Indoor EF 3.1 kg 2
490d7d8b-afa7-47ba-aeb4-79519a858a39 Environmental → Air → Long-term EF 3.1 kg 0
edf8a789-8134-4787-aca3-95ca13dfa6c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
55d82043-c86f-4aa7-b316-e23062979c1b Environmental → Air → Unknown EF 3.1 kg 2
ce3a1fa2-c487-43e9-91bc-6ab661a2ebd7 Environmental → Ground → Agricultural EF 3.1 kg 2
89b9d88b-357f-4e7b-b3b5-a7697a832adb Environmental → Ground → Non-agricultural EF 3.1 kg 2
b5da45ce-bb9e-43b2-946a-45397a46fa85 Environmental → Ground → Unknown EF 3.1 kg 2
5fdf1379-c2da-49e3-af0a-6c95b444d75b Environmental → Water → Long-term EF 3.1 kg 0
0ab07e6d-07e8-47a9-9202-04228943fac2 Environmental → Water → Ocean EF 3.1 kg 2
11b1b8cf-3570-40fd-84c1-d74732681910 Environmental → Water → Surface water EF 3.1 kg 2
0dd50958-78ec-484e-8b8c-fc486973be6c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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