Ammonium oxalate
fo-25de90dc152b7836
Identity
- Type
- Chemical salt
- CAS
- 1113-38-8
- EC
- 214-202-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
6- bisammonium ethanedioate
- Diammonium Oxalate
- Ethanedioic acid diammonium salt
- Ethanedioic acid, ammonium salt (1:2)
- Ethanedioic acid, diammonium salt
- Oxalic acid, diammonium salt
Properties
| Property | Value |
|---|---|
| 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
12Where 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 | 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)
Full record
Flow object JSON
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],
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works