Perhydroazocine
fo-8812609cdcbf47de
Identity
- Type
- Neutral molecule
- CAS
- 1121-92-2
- EC
- 214-342-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
8- 1-Azacyclooctane
- azacyclooctane
- Azocan
- azocane
- Azocine, octahydro-
- heptamethyleneimine
- heptamethylenimine
- octahydroazocine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QXNDZONIWRINJR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2 |
| IUPAC name chemrof:IUPAC_name | Perhydroazocine |
| Molecular formula chemrof:molecular_formula | C7H15N |
| Molecular mass chemrof:molecular_mass | 113.204 |
| Monoisotopic mass chemrof:monoisotopic_mass | 113.120449, 113.12045 |
| SMILES string chemrof:smiles_string | C1CCCNCCC1 |
Known URLs
13Where 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:102615 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=1121-92-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38792 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.013.039 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2020680 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186488 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:130714 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZC49N9GJJ2 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.709C | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56004 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/14276 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q2340670 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Azocane | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6e28dddd-4ef0-45f6-a984-30751282f4df | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 63a66f40-57d5-4538-8873-d630af1e9331 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 9fe1c629-3119-427d-8c8b-ea5a3652856b | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 82c4c9cc-8839-49fd-ba0e-e3c7752d6a72 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5d6b2274-18af-4cfd-a55a-4bc58914fc99 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| eb45f1f2-b4f6-4a2e-9911-f132f9c2a53f | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 15bf6e4c-8e36-4b0d-98c9-507855dc420e | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 1c35760d-ad38-478e-9784-0ab5c7647d5d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 9c78891e-2e70-42db-aec8-61c2e759e75e | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| fe0eedba-c021-41ee-b41d-09958ec2512c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1633bafd-d657-41b8-9773-a96b333dfd53 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| e864ea9f-b2d1-4698-83bf-b9f852bb3cd7 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 5258b6b9-67f5-420c-9b1f-301af3ad3bb9 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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