(Z)-N-9-octadecenylpropane-1,3-diamine
fo-ac4b3430575f14b1
Identity
- Type
- NeutralMolecule
- CAS
- 7173-62-8
- EC
- 230-528-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 63 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
22- 1,3-Propanediamine, N-(9Z)-9-octadecenyl-
- 1,3-Propanediamine, N-9-octadecenyl-, (Z)-
- 1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-
- 3-(Oleylamino)propylamine
- Diamin OLB
- Dicrodamine 1.0
- Dinoram O
- Duomeen O
- Duomeen OL
- Duomeen OX
- Kemamine D 989
- N-(3-Aminopropyl)oleylamine
- N-(9-Octadecenyl)-1,3-propylenediamine
- N-(9Z-Octadecenyl)-1,3-propylenediamine
- N-[cis-9-Octadecenyl]-1,3-propanediamine
- N-Oleyl-1,3-diaminopropane
- N-Oleyl-1,3-propanediamine
- N-Oleyl-1,3-propylenediamine
- N-Oleyltrimethylenediamine
- N1-(9Z)-9-Octadecen-1-yl-1,3-propanediamine
- Oleylaminopropylamine
- Oleyltrimethylenediamine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | TUFJPPAQOXUHRI-KTKRTIGZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9- |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CCCCCCCC/C=C\CCCCCCCCNCCCN |
| IUPAC name chemrof:IUPAC_name | (Z)-N-9-octadecenylpropane-1,3-diamine, 1,3-Propanediamine, N-(9Z)-9-octadecenyl- |
| Molecular formula chemrof:molecular_formula | C21H44N2 |
| Molecular mass chemrof:molecular_mass | 324.597 |
| Monoisotopic mass chemrof:monoisotopic_mass | 324.350449 |
| SMILES string chemrof:smiles_string | CCCCCCCCC=CCCCCCCCCNCCCN |
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=7173-62-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.027.754 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0027644 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54XL96S8SY | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J221.591H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6435904 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q27261249 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Oleyl-1,3-propanediamine | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 65f93a2e-30cc-448d-aee8-26dce1ffcc7d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 13f3d3cc-b9d9-4e37-9c1e-91dd3ca1cd80 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 59e3618d-20ed-48ef-934f-a20cd2b3790c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 0b3ab840-0c17-44a0-914a-ae6e908e4351 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d55cce39-a248-45b0-81fc-8752b46ec049 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f3ee6bca-dcd3-43db-8612-1e2ca0671791 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| acc0ea79-b19f-49d4-a586-0c8eaeb06b24 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 1691881b-7081-4e18-8e20-b8a2a2b76fdf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8ca83761-2028-40ee-a4b0-e86a1ca64058 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 0b14e8fa-391f-46cb-961b-9e0ca8f1bd11 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ee8d9315-96db-4d14-ae70-1fd0cb2e6ae1 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 77b3b828-a5ae-436f-82e4-fe69ee73cdb5 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 21c375eb-4f4a-49e5-8434-d602b4796a70 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (63 changes)
Full record
Flow object JSON
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{
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