1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-1-ium Chloride
fo-a718098442604910
Identity
- Type
- Chemical salt
- CAS
- 52605-52-4
- EC
- 258-038-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
4- 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride
- 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)
- Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, hydrochloride (1:1)
- Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride
Properties
| Property | Value |
|---|---|
| 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
8Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works