Phenanthridine
fo-51b33a807696e6d2
Identity
- Type
- Neutral molecule
- CAS
- 229-87-8
- EC
- 205-934-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
6- 3,4-benzoisoquinoline
- 3,4-benzoquinoline
- 5-Azaphenanthrene
- 6-phenanthridine
- 9-azaphenanthrene
- benzo[c]quinoline
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RDOWQLZANAYVLL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H |
| IUPAC name chemrof:IUPAC_name | Phenanthridine |
| Molecular formula chemrof:molecular_formula | C13H9N |
| Molecular mass chemrof:molecular_mass | 179.222 |
| Monoisotopic mass chemrof:monoisotopic_mass | 179.073499, 179.0735 |
| SMILES string chemrof:smiles_string | c1ccc2c(c1)cnc1ccccc12 |
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 |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=229-87-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36421 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.396 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3074288 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73482 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL504941 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62QGS7CPS6 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256392 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.283A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55358 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9189 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18522130 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24452525 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24547771 | enrich_references.chebi_xrefs |
| reaxys | reaxys:120204 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q400082 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phenanthridine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6e945605-a436-4560-b8fc-658694e231cd | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 663ad02b-c2cd-4b13-9f4a-28ea26cd262c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 58a0ab89-9533-4408-9e2c-19ab2d97550d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f4ba260a-4af0-439e-b247-a687827e6947 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7c4ebfaa-e34e-442d-9b11-bbd201a61d87 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7fdf607c-d9fc-4853-b5a9-32f4a14c6c81 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8e0e792b-02f6-42c1-85fd-945a6870d7be | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 481be14a-7a6f-44c3-82bd-6d69a59c00bd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2d5d3c13-ceee-4706-bfe0-6993519a2cc3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 70f89955-810f-4733-9566-ac76b9b9564b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 27600f16-1427-4eaf-a02d-9edcd39f40d7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 799ee624-8d8d-4028-9b2f-a042389b6f34 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 8c2ab735-0c08-45a5-9e8c-84440d10cd27 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"http://purl.obolibrary.org/obo/CHEBI_36421"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "27600f16-1427-4eaf-a02d-9edcd39f40d7",
"seed_source": "EF 3.1",
"semantic_typing": {
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"reason": "",
"types": [
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],
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"229-87-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=229-87-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=229-87-8"
}
],
"provenance": {
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"prov:wasAttributedTo": "brightway-flows",
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"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"205-934-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=205-934-4"
],
"provenance": {
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"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
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],
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}
}
],
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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