Brightway Flows 1.0
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Demp Malonamide

fo-9f5d42575321dd2d

Identity

Type
Neutral molecule
CAS
314020-40-1
EC
452-330-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Demp Malonamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MBCOLUIVZSFWBX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)
IUPAC name chemrof:IUPAC_name 2,6-Diethyl-4-methylphenylmalonic acid diamide
Molecular formula chemrof:molecular_formula C14H20N2O2
Molecular mass chemrof:molecular_mass 248.326
Monoisotopic mass chemrof:monoisotopic_mass 248.152478
SMILES string chemrof:smiles_string CCc1cc(C)cc(CC)c1C(C(N)=O)C(N)=O

Known URLs

4

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=314020-40-1 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401032365 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12056811 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126673642 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
247250ea-b282-4214-b370-10204da02f69 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1cc3853e-8497-45af-9ddc-996bbbaf160b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c38a3014-736c-42c3-9c93-302e23a3b865 Environmental → Air → Indoor EF 3.1 kg 4
3ed52795-9df3-436b-b7ff-10888e0d5137 Environmental → Air → Long-term EF 3.1 kg 0
5b1aad65-dbf0-47cf-a330-c797bbe49be3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e11556df-4662-4305-a7d8-1d80dc67f61e Environmental → Air → Unknown EF 3.1 kg 4
562d49ce-b741-4493-afdb-bcb408b1064d Environmental → Ground → Agricultural EF 3.1 kg 4
e2d8f288-ce8f-49d5-a65b-cadb33542b84 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ae178f53-1b8b-4307-a2cf-fdccf65de25a Environmental → Ground → Unknown EF 3.1 kg 4
f939f9a6-65c0-4d47-82d7-fa1632fd2f7d Environmental → Water → Long-term EF 3.1 kg 0
cc15797c-4f34-4ec3-9fb7-1777a35d223e Environmental → Water → Ocean EF 3.1 kg 4
90c06c83-ea1f-41d9-bca6-d575c3d6697e Environmental → Water → Surface water EF 3.1 kg 4
e659b721-4647-450a-8ebe-4c5bc4eff832 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9f5d42575321dd2d",
  "prefLabel": [
    {
      "@value": "Demp Malonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "2,6-Diethyl-4-methylphenylmalonic acid diamide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(2,6-Diethyl-4-methylphenyl)propanediamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanediamide, 2-(2,6-diethyl-4-methylphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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  "properties": {
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    },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
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          ]
        },
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          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
        "InChI=1S/C14H20N2O2/c1-4-9-6-8(3)7-10(5-2)11(9)12(13(15)17)14(16)18/h6-7,12H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)": [
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    },
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      },
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    },
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        },
        {
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          ]
        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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          ]
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      "attested_by": {
        "248.152478": [
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        ]
      },
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    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1cc3853e-8497-45af-9ddc-996bbbaf160b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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    }
  },
  "classifications": {
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      ],
      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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      ],
      "rdfs:seeAlso": [
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      ],
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        "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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