4'-aminoacetophenone
fo-9d0c8f762797951e
Identity
- Type
- Neutral molecule
- CAS
- 99-92-3
- EC
- 202-801-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
15- 1-(4-Aminophenyl)ethan-1-one
- 1-(4-Aminophenyl)ethanone
- 1-Acetyl-4-aminobenzene
- 4-Acetylaniline
- 4-Acetylphenylamine
- 4-Aminophenyl methyl ketone
- 4′-Aminoacetophenone
- Acetophenone, 4′-amino-
- Acetophenone, p-amino-
- Ethanone, 1-(4-aminophenyl)-
- p-Acetylaniline
- p-Acetylphenylamine
- p-Aminoacetophenone
- p-Aminoacetylbenzene
- p-Aminophenyl methyl ketone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 4'-aminoacetophenone |
| Molecular formula chemrof:molecular_formula | C8H9NO |
| Molecular mass chemrof:molecular_mass | 135.166 |
| Monoisotopic mass chemrof:monoisotopic_mass | 135.068414 |
| SMILES string chemrof:smiles_string | CC(=O)c1ccc(N)cc1 |
Known URLs
11Where 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=99-92-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.547 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6052669 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3242 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3278329 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1S58KH902I | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246623 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.228J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7468 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019990 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27252822 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5bbb78be-baa6-46a8-903c-7ab22565d89d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| a45ae535-720e-45e7-8781-789fb17ac80c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 803eb09a-38e9-401e-8f9b-78bc411dc6de | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a5767695-cab3-490c-a2e9-77fe62270297 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 49d87317-0b27-4071-842d-fb108afb427d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 6ec328b6-cd1a-4a08-9b74-85f2816dbc3f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f378d697-951c-4543-b2f2-dc7da0c27243 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 8f40c449-802b-46c8-9a5e-56164d1fbc14 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5fa86cad-61b5-46f6-91a4-59beb1793886 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 32c67be1-b0d4-492b-8183-00e25baa27be | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b22a88c1-6175-413e-99bf-afc744442e30 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 104877db-8023-4318-8bac-2d4667fc78ed | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| e91ce6df-7400-40c2-a88e-a9ea9a056043 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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=99-92-3"
}
],
"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": [
"202-801-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-801-2"
],
"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,
"@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