N-(2,4-dimethylphenyl)-3-oxobutanamide
fo-8b792760f31bb12b
Identity
- Type
- Neutral molecule
- CAS
- 97-36-9
- EC
- 202-576-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
11- 1-Acetoacetylamino-2,4-dimethylbenzene
- 2,4-Acetoacetoxylidide
- 2′,4′-Acetoacetoxylidide
- 2′,4′-Dimethylacetoacetanilide
- Acetoacetic acid m-xylidide
- Acetoaceto-m-xylidide
- Acetoacetyl-m-xylidide
- Butanamide, N-(2,4-dimethylphenyl)-3-oxo-
- N-(2,4-Dimethylphenyl)acetoacetamide
- N-Acetoacetyl-2,4-xylidine
- o,p-Dimethylacetoacetanilide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HGVIAKXYAZRSEG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15) |
| IUPAC name chemrof:IUPAC_name | N-(2,4-dimethylphenyl)-3-oxobutanamide |
| Molecular formula chemrof:molecular_formula | C12H15NO2 |
| Molecular mass chemrof:molecular_mass | 205.257 |
| Monoisotopic mass chemrof:monoisotopic_mass | 205.110279 |
| SMILES string chemrof:smiles_string | CC(=O)CC(=O)Nc1ccc(C)cc1C |
Known URLs
10Where 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=97-36-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.343 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1298 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4040719 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8398 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1877137 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/84GV04HEUG | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.731G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/222464 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27269525 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c49e3982-4f26-404f-917b-5859a00092c6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1be3bc8a-b6a6-4c8d-a490-4321919515bb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b4554095-1151-43d1-8f4c-c7193b058cc6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fc4bf4a0-62f8-4608-8051-5200363dc545 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 39630761-dc85-4697-8497-133fc8cf0a06 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 0b2d9058-67de-4681-b3d5-7440d026d1da | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 20170efb-6a0b-419f-9f02-54126d5aa688 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| dacdb93f-ec7a-436d-a9ce-3ae448287a93 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e242144f-da98-4560-83fb-15b170b54e41 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ec9ce3b7-ee27-4ec2-9fbd-7358c5305a0b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bdeb1dac-a929-4adc-a5cf-9c95e8067176 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d1d3b210-4c85-4015-b66f-c15371a6020e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 6a52bf73-d459-4e79-b904-90be45257da6 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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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