Adamantane
fo-f37fb9ed5de3e8d5
Identity
- Type
- Neutral molecule
- CAS
- 281-23-2
- EC
- 206-001-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
4- Adamantan
- MeSH ID: D000218
- tricyclo[3.3.1.1(3,7)]decane
- Tricyclo[3.3.1.13,7]decane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ORILYTVJVMAKLC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2 |
| IUPAC name chemrof:IUPAC_name | Adamantane |
| Molecular formula chemrof:molecular_formula | C10H16 |
| Molecular mass chemrof:molecular_mass | 136.238 |
| Monoisotopic mass chemrof:monoisotopic_mass | 136.1252, 136.125201 |
| SMILES string chemrof:smiles_string | C1C2CC3CC1CC(C2)C3 |
Known URLs
18Where 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:1901173 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=281-23-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40519 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.457 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5022017 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03627 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03627 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=527913 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1230831 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:26963 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PJY633525U | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0247997 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.672A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52251 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:ADM | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9238 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q351461 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Adamantane | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 03577374-4784-44a3-bddb-aa6714238211 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 2b2fa791-dcfb-411b-9f2e-b118d4569113 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 54769340-dde5-4b40-8844-87c5948deb3e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e093695f-3d71-4ed7-ae70-19d092997331 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5925ecc6-6c6c-4354-bb69-9ebd93533f32 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8a28c8f5-3352-42f5-8818-fa3788492131 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7d85185e-f5f6-4a95-81b8-4517d9ab6d7d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 655f37e6-bc31-44d8-b0f5-3d8b3b214d31 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5b9aacf3-5bc7-4225-b917-2239dff64170 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3ac4535b-da30-4633-81c8-d4aed0c195dc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 35cbeada-1ea7-47c1-a71c-2c93879256d0 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| dd8e34dc-d735-40d0-a793-b15572752139 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| ee539733-84e8-4483-8657-a2f0611bf618 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=281-23-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"206-001-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=206-001-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"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