Octogen
fo-3941f7c85dc76ed8
Identity
- Type
- Neutral molecule
- CAS
- 2691-41-0
- EC
- 220-260-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
23- .Beta.-HMX
- 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane
- 1,3,5,7-tetranitro-1,3,5,7-tetraazocane
- 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
- 1,3,5,7-Tetranitroperhydro-1,3,5,7-tetrazocine
- 1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
- cyclotetramethylene tetranitramine
- Cyclotetramethylenetetranitramine
- HMX
- Homocyclonite
- JO-X
- LX 14-0
- Octagen
- octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
- Octahydro-1,3,5,7-tetranitro-s-tetrazocine
- Okfol
- Oktoflen
- Oktogen
- PBXK-C 1203
- tetramethylenetetranitramine
- β-HMX
- γ-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetraazocine
- Tetrazocine, 1,3,5,7-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UZGLIIJVICEWHF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2 |
| IUPAC name chemrof:IUPAC_name | 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane |
| Molecular formula chemrof:molecular_formula | C4H8N8O8 |
| Molecular mass chemrof:molecular_mass | 296.156 |
| Monoisotopic mass chemrof:monoisotopic_mass | 296.046509, 296.04651 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1 |
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 |
|---|---|---|
| beilstein | beilstein:361386 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2691-41-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33176 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.418 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1575 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3024237 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LLW94W5BSJ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0255911 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.730F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54855 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17596 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#0226 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20012743 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20188417 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21087822 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q422206 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/HMX | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1f314b8e-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-935f-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b2c1a183-8cf1-4373-bfa1-bb9af13b1732 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-935e-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9360-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-935d-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-afa7-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9364-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-afa8-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9362-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9365-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9361-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 324e65fffb8d1f098d99dbed3f58c82012f7fb29 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9363-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 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