Consensus flow list

Identity

Type
Neutral molecule
CAS
119344-86-4
EC
438-340-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cgi 113

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PUBNJSZGANKUGX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]-
Molecular formula chemrof:molecular_formula C24H32N2O2
Molecular mass chemrof:molecular_mass 380.532
Monoisotopic mass chemrof:monoisotopic_mass 380.246378
SMILES string chemrof:smiles_string CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C

Known URLs

6

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=119344-86-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.524 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30869627 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.834.765B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22019755 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72486976 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cc3b6402-0c6f-4fa1-bbcf-dee1a0ba497f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a5823186-1b24-48ca-b772-e1d23587edf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8c94906d-6628-4725-a0f6-136a9e18e2b5 Environmental → Air → Indoor EF 3.1 kg 4
6d53f1d2-9aec-44e7-a8c3-c0d4fb254acb Environmental → Air → Long-term EF 3.1 kg 0
036fe4b7-881b-4fd2-bf48-2b471376409c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
dbe3883c-9bfa-4639-bc27-10b7b2555ce1 Environmental → Air → Unknown EF 3.1 kg 4
38273d17-2091-402e-a89c-757f3a4c170d Environmental → Ground → Agricultural EF 3.1 kg 4
e939fa1d-2fa1-4f26-89fd-278ff3fe661c Environmental → Ground → Non-agricultural EF 3.1 kg 4
46dbc8d3-cbe6-4f72-8877-777924555c8a Environmental → Ground → Unknown EF 3.1 kg 4
5e21a479-d5e6-4405-9f22-17a96a68d33c Environmental → Water → Long-term EF 3.1 kg 0
77f4b348-8987-4b0a-8757-03123f6c89fd Environmental → Water → Ocean EF 3.1 kg 4
5ba87532-550d-48a9-8549-4e3e92760fa5 Environmental → Water → Surface water EF 3.1 kg 4
513e6a71-3e67-4da4-a0ad-e2701bf66482 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-94fed44cd7fababf",
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      "@value": "Cgi 113",
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      "provenance": {
        "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": [
        "438-340-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=438-340-0"
      ],
      "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"
  ]
}

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