N-(2-methoxyphenyl)-3-oxobutanamide
fo-8f117ac1a074980b
Identity
- Type
- Neutral molecule
- CAS
- 92-15-9
- EC
- 202-131-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
15- 1-Acetoacetylamino-2-methoxybenzene
- 2-(Acetoacetylamino)anisole
- 2′-Methoxyacetoacetanilide
- Acetoacet-2-anisidide
- Acetoacetic acid 2-anisidide
- Acetoacetic acid 2-methoxyanilide
- Acetoacetic acid o-anisidide
- Acetoaceto-o-anisidide
- Acetoacetyl-o-anisidide
- Acetoacetyl-o-anisidine
- Butanamide, N-(2-methoxyphenyl)-3-oxo-
- N-(2-Methoxyphenyl)acetoacetamide
- N-Acetoacetyl-o-anisidine
- o-Acetoacetanisidide
- o-Methoxyacetoacetanilide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KYYRTDXOHQYZPO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14) |
| IUPAC name chemrof:IUPAC_name | N-(2-methoxyphenyl)-3-oxobutanamide |
| Molecular formula chemrof:molecular_formula | C11H13NO3 |
| Molecular mass chemrof:molecular_mass | 207.229 |
| Monoisotopic mass chemrof:monoisotopic_mass | 207.089543 |
| SMILES string chemrof:smiles_string | COc1ccccc1NC(=O)CC(C)=O |
Known URLs
9Where 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=92-15-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.938 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9026558 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7563 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1873009 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6VBR220ROM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.649C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7078 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27265584 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7629c1fb-817e-4bfe-a65c-d7beafc109ff | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 12263c55-a4f4-4b08-ac74-ff8723ed09e6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| f90535c4-399c-4845-91bd-e86927f01ac0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a98c12fd-fac6-4f52-94a6-e2e8102cb926 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5c18f32b-946b-4df7-ad9d-191a71d9c8e4 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2e260fa7-4f0d-4674-8cba-df7d4d35d82c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4bc5f685-3d85-40f1-805c-bbee00e628f6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| ecd68ca0-69c4-4822-a712-97a1e8b3f7f2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 85d8ec62-98cd-4b05-828c-027c38df17ad | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6fb559f6-1891-43ac-9b6d-d4d8252d31df | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 35f93ad8-0509-4bbf-8ee8-9abfdafea382 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| db56e94e-c837-4356-b91c-37c9aa7a81e1 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6245f99d-07d1-4909-922f-8ad2ec89f7b5 | 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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"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"202-131-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=202-131-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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