Perfluorotripropylamine
fo-ed8f9c2044a61f8d
Identity
- Type
- Neutral molecule
- CAS
- 338-83-0
- EC
- 206-420-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
15- 1,1,2,2,3,3,3-Heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-propanamine
- 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)-1-propanamine
- 1,1,2,2,3,3,3-heptafluoro-n,n-bis(heptafluoropropyl)propan-1-amine
- 1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-
- 1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)-
- F-tripropylamine
- FTPA
- heneicosafluorotripropylamine
- heptafluoro-N,N-bis(heptafluoropropyl)-1-propanamine
- Perfluamine
- Tri (perfluoro n-propyl) amine
- Tri(perfluoropropyl)amine
- Tripropylamine, heneicosafluoro-
- Tris(heptafluoropropyl)amine
- Tris(perfluoropropyl)amine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JAJLKEVKNDUJBG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24 |
| IUPAC name chemrof:IUPAC_name | Perfluorotripropylamine |
| Molecular formula chemrof:molecular_formula | C9F21N |
| Molecular mass chemrof:molecular_mass | 521.064 |
| Monoisotopic mass chemrof:monoisotopic_mass | 520.96954, 520.969542 |
| SMILES string chemrof:smiles_string | FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |
Known URLs
16Where 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 |
|---|---|---|
| beilstein | beilstein:1813843 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=338-83-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38850 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.837 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9059834 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB19850 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2101 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2101 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104877 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:586100 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3T396UK091 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256337 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J191.935K | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C166694 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/67645 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27117994 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bf5015f2-3ec8-4225-b7a8-88daebcc3b15 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| a3e5dc1a-14e3-4f9a-839b-5b3e93d62171 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 7481f73c-fe83-40a7-a5b2-44f49869a06b | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| d5cc3657-56ac-4ee6-b502-0e392c6721ce | Environmental → Air → Long-term | EF 3.1 | kg | 2 |
| ea3159e2-1083-461e-a6c8-6fbaccabb111 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| f5ceac40-0029-4e0d-93f4-594f996e3340 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 2935fd41-d32c-4d5f-afcd-554863cd8868 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| ef67aac3-fab1-4818-b7b5-755818c166ad | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 72f9fd9f-e8ba-4382-9af1-a6f8ed9a8682 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f3851d95-a2c2-4375-93d5-ceb0256d4cf4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 283f51e6-604e-4307-89a9-6fd44d176452 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4fba5d95-0097-48cf-b7b3-bda8a4d91882 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| ad77c9ae-d295-4bbe-8e3f-7f41779ac966 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 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