Consensus flow list

Identity

Type
Neutral molecule
CAS
21638-36-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BJUPUKIYTMVLCW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H10N4O4/c1-6-5-12(9(14)11-6)10-4-7-2-3-8(17-7)13(15)16/h2-4,6H,5H2,1H3,(H,11,14)
IUPAC name chemrof:IUPAC_name 4-methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone
Molecular formula chemrof:molecular_formula C9H10N4O4
Molecular mass chemrof:molecular_mass 238.203
Monoisotopic mass chemrof:monoisotopic_mass 238.070205
SMILES string chemrof:smiles_string CC1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1

Known URLs

3

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=21638-36-8 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30722 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677938 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4cb451-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-98a8-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
62dad1bc-9c96-40ea-9fb5-ca86005309e1 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-98a7-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-98a9-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-98a6-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-98a4-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-98ad-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-98a5-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-98ab-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-acbe-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-98aa-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-98ac-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-17accacce6e628b4",
  "prefLabel": [
    {
      "@value": "4-methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-4-Methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:21638-36-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=21638-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Imidazolidinone, 4-methyl-1-[(5-nitrofurfurylidene)amino]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=21638-36-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Imidazolidinone, 4-methyl-1-[[(5-nitro-2-furanyl)methylene]amino]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-1-[(5-nitrofurfurylidine)amino]-2-imidazolidinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "4-Methyl-1-[[(5-nitro-2-furanyl)methylene]amino]-2-imidazolidinone",
      "@language": "en",
      "@lang": "en",
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    },
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    },
    {
      "@value": "Nifurimide",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H10N4O4/c1-6-5-12(9(14)11-6)10-4-7-2-3-8(17-7)13(15)16/h2-4,6H,5H2,1H3,(H,11,14)"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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