Azepane
fo-a3b433dffa5b9f89
Identity
- Type
- Neutral molecule
- CAS
- 111-49-9
- EC
- 203-875-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
10- 1-Azacycloheptane
- 1H-Azepine, hexahydro-
- azacycloheptane
- Azepan
- hexahydro-1H-azepine
- hexahydroazepine
- hexamethyleneimine
- hexamethylenimine
- Homopiperidine
- Perhydroazepine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2 |
| IUPAC name chemrof:IUPAC_name | Azepane |
| Molecular formula chemrof:molecular_formula | C6H13N |
| Molecular mass chemrof:molecular_mass | 99.177 |
| Monoisotopic mass chemrof:monoisotopic_mass | 99.104799, 99.1048 |
| SMILES string chemrof:smiles_string | C1CCCNCC1 |
Known URLs
17Where 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=111-49-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32616 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.524 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1026879 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16236 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1375444 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:130604 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CZD076G73R | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2933.99.89.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.113I | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54644 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8119 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2493 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24689521 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1084 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q421530 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Azepane | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 777cadf3-5443-4a1d-946e-27cc56b5f6c6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e3425707-f3ac-496c-8d67-953f8b8f2e02 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 544f73ee-6582-47a4-8e80-3c9c70fa9abc | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d8f6da0b-48d1-45f2-bfb9-26f6c500fc3c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9a8c5ce8-ee00-470e-aa2b-aca0620b1dbb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4bef0efa-a777-49f9-9403-407fca2f15eb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 3854b9e8-ad5e-480e-b8c6-8bb1f82c401d | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e71a2098-934b-4640-919b-0f2818cfc4ed | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2433e24a-3ee6-4ef5-b2ec-1db22ccf4457 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e95e0732-33f2-4eee-b3bf-7ccfe8b8e75f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1e4b5cdd-09db-4ff7-9e06-15cdbf6cd2f3 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ca708a07-4ea6-4a56-943d-0a2b435d4580 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8de9f64f-dda2-4724-b414-ece5d9cabd43 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 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