Consensus flow list

1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride

fo-a718098442604910

Identity

Type
ChemicalSalt
CAS
52605-52-4
EC
258-038-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JVLRNANYLVRULL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
IUPAC name chemrof:IUPAC_name 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride
Molecular formula chemrof:molecular_formula C13H19Cl3N2
Molecular mass chemrof:molecular_mass 309.668
Monoisotopic mass chemrof:monoisotopic_mass 308.061382
SMILES string chemrof:smiles_string ClCCCN1CC[NH+](c2cccc(Cl)c2)CC1.[Cl-]

Known URLs

8

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=52605-52-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.744 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9057761 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186498 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2692F180CJ enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13035120 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3016761 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254074 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d36358e9-713c-42b6-b46a-c59bd1fc15ab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
412a60b3-36d1-41a8-86f0-feaf5d1b41fa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
72cc85bf-e376-4b5a-a4ba-fbf0afb5f9fb Environmental → Air → Indoor EF 3.1 kg 2
f3893594-585c-41da-8d26-79300eaead26 Environmental → Air → Long-term EF 3.1 kg 0
fad2b4c9-f26c-4696-9336-dd2646f2e894 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c8c152b4-46c6-4ac9-88ef-3145ff98f880 Environmental → Air → Unknown EF 3.1 kg 2
3673b5f0-9d5c-41fd-afcf-3b9df28aab53 Environmental → Ground → Agricultural EF 3.1 kg 2
a6113813-6cbe-4b12-a2e1-d0b0dd294115 Environmental → Ground → Non-agricultural EF 3.1 kg 2
732f5711-ba54-4359-b231-ea4c82b29fad Environmental → Ground → Unknown EF 3.1 kg 2
9d2f017d-0287-4907-96b6-bef8ecfda1e1 Environmental → Water → Long-term EF 3.1 kg 0
3dbe80b0-b2b3-4bdb-a045-aff5fc3addc6 Environmental → Water → Ocean EF 3.1 kg 2
6a91fb78-2c0b-4474-8ca6-0d960637a5d8 Environmental → Water → Surface water EF 3.1 kg 2
c8e12b17-d667-4640-9fad-1b69c904371a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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