Indol-5-ylamine
fo-72ce6db68ff84c0f
Identity
- Type
- Neutral molecule
- CAS
- 5192-03-0
- EC
- 225-977-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- (Indol-5-yl)amine
- 1H-indol-5-amine
- 1H-Indol-5-ylamine
- 5-Amino-1H-indole
- 5-aminoindole
- 5-Indolamine
- Indole, 5-amino-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ZCBIFHNDZBSCEP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 |
| IUPAC name chemrof:IUPAC_name | Indol-5-ylamine |
| Molecular formula chemrof:molecular_formula | C8H8N2 |
| Molecular mass chemrof:molecular_mass | 132.166 |
| Monoisotopic mass chemrof:monoisotopic_mass | 132.068748, 132.06875 |
| SMILES string chemrof:smiles_string | Nc1ccc2[nH]ccc2c1 |
Known URLs
15Where 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=5192-03-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33067 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.023.616 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5063734 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=61452 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL325916 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q732PG0Y16 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246749 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J80.971C | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54801 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/78867 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18947830 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9225290 | enrich_references.chebi_xrefs |
| reaxys | reaxys:112348 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27115500 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fab2b242-5f7b-4e5c-809f-45ac578e1245 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 6e7f59f6-c2a4-4dd9-9080-989fccb898fd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e2470caf-2285-4280-9806-08f89cedbe44 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e257c08e-c8d7-401a-86d6-5a01236737b3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9d56af63-e290-4bd8-b1cc-03aaa3fbc680 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 960e380f-404e-4fea-8739-30dfcb67a439 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c419771e-cbac-4baf-8d8b-76bc03b06a30 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 98bf410f-21ec-4039-b4b4-628c9ab464b2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 8113cea0-a10a-46b4-8dd8-c03e2960d268 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e8a93039-b3b4-4e3f-a0a3-3c9835dcf57f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 51771d70-174a-426c-945e-77d3529b40a2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| be8ee93a-7f09-4867-a454-992bcf8c8acb | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 828207ff-3866-4caa-aa78-5a686f5d713d | 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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"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"5192-03-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=5192-03-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=5192-03-0"
}
],
"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": [
"225-977-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=225-977-2"
],
"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,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An indolamine carrying an amino group at position 5.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_33067"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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