Consensus flow list

Identity

Type
ChemicalSalt
CAS
1113-38-8
EC
214-202-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ammonium oxalate

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VBIXEXWLHSRNKB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
IUPAC name chemrof:IUPAC_name Ammonium oxalate
Molecular formula chemrof:molecular_formula C2H8N2O4, C2O4.2H4N
Molecular mass chemrof:molecular_mass 124.096
Monoisotopic mass chemrof:monoisotopic_mass 124.048407, 124.04841
SMILES string chemrof:smiles_string O=C([O-])C(=O)[O-].[NH4+].[NH4+]

Known URLs

12

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=1113-38-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91241 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.912 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.653 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1036 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50889443 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0PB8MO5U0H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14213 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1759 enrich_references.pubchem_identifier_url
reaxys reaxys:13274555 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q419626 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ammonium_oxalate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
b15cfa75-afba-4197-8dd2-e2ff441fe18c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dd44c3a5-bcf2-4307-ba9e-9cf85de83565 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f901533f-e82f-4d66-8862-90f0dda7aa95 Environmental → Air → Indoor EF 3.1 kg 2
66ad78fc-6685-4161-9538-fc860fbf65ea Environmental → Air → Long-term EF 3.1 kg 0
d8917ef9-32f0-4d4c-93e1-c6712ed2af5b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0f28e895-f7f5-4c47-96b0-f9f9835f9b0f Environmental → Air → Unknown EF 3.1 kg 2
2d8784d8-5202-4ca5-bf63-91ddbdc08a68 Environmental → Ground → Agricultural EF 3.1 kg 2
3f8d5c18-30ca-4f0e-bf2f-d9a29f5b9639 Environmental → Ground → Non-agricultural EF 3.1 kg 2
15e3b3ab-085b-4afb-99ce-1de23f1ae4cf Environmental → Ground → Unknown EF 3.1 kg 2
d4a7e2db-840b-490e-8ed5-fa61e7a46f06 Environmental → Water → Long-term EF 3.1 kg 0
09c1f63d-490f-4d61-a0f3-fa5cb725c311 Environmental → Water → Ocean EF 3.1 kg 2
a70f3087-1420-439a-a3a9-c16c60253920 Environmental → Water → Surface water EF 3.1 kg 2
008454f2-46ce-41c2-ac4a-83c33736ec83 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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        "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,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An ammonium salt consisting of ammonium and oxalate ions in a 2:1 ratio.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_91241"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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