Consensus flow list

4'-aminopropiophenone

fo-85c0f68128bafbba

Identity

Type
Neutral molecule
CAS
70-69-9
EC
200-742-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4'-aminopropiophenone

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FSWXOANXOQPCFF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
IUPAC name chemrof:IUPAC_name 4'-aminopropiophenone
Molecular formula chemrof:molecular_formula C9H11NO
Molecular mass chemrof:molecular_mass 149.193
Monoisotopic mass chemrof:monoisotopic_mass 149.084064
SMILES string chemrof:smiles_string CCC(=O)c1ccc(N)cc1

Known URLs

14

Where 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=70-69-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.675 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021738 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3187 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404994 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3278330 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/79GF917W6U enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246624 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.069H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6270 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019991 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q4637033 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4'-Aminopropiophenone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
82fd3315-e701-4a4f-b334-1260bf6bee67 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4b1ff53a-6e9d-42fa-a1fd-75af351a7cc9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
57b3999e-895e-412d-87d6-49795690e07d Environmental → Air → Indoor EF 3.1 kg 2
21788c4e-3d5b-467f-add6-a1b41c11e332 Environmental → Air → Long-term EF 3.1 kg 0
e6b5067b-ae6a-4772-a318-919dff38a8a1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5d6714a2-f36f-4648-821c-7969bafa1c84 Environmental → Air → Unknown EF 3.1 kg 2
4b99bc67-1967-42de-a8a5-d107ea2a41fb Environmental → Ground → Agricultural EF 3.1 kg 2
0bc1daf2-58ae-4b5d-9014-7bd99bd37994 Environmental → Ground → Non-agricultural EF 3.1 kg 2
13f9ed06-8666-45ba-8a5d-5421a2c8f74b Environmental → Ground → Unknown EF 3.1 kg 2
1b1e65d5-9d4e-4861-a231-51f89ab3f9e9 Environmental → Water → Long-term EF 3.1 kg 0
a4ccc238-125e-4b41-aaa4-468ac30cf0b6 Environmental → Water → Ocean EF 3.1 kg 2
e816778f-3ee0-4958-8c90-052288173ee6 Environmental → Water → Surface water EF 3.1 kg 2
c3423343-a8fe-47af-bdc9-87abaeb4d25f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "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"
  ]
}

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