Consensus flow list

Identity

Type
Neutral molecule
CAS
89392-03-0
EC
406-600-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MESPVSMSORHLAX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
IUPAC name chemrof:IUPAC_name Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
Molecular formula chemrof:molecular_formula C13H13N3O4
Molecular mass chemrof:molecular_mass 275.264
Monoisotopic mass chemrof:monoisotopic_mass 275.090606
SMILES string chemrof:smiles_string COc1cc(OC)nc(NC(=O)Oc2ccccc2)n1

Known URLs

7

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=89392-03-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.818 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.960 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10888694 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.782.121G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10945667 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72468202 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
61c104e7-b946-4c4a-8eaa-9fb897992f0b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
02cfbff7-e6e4-4e3f-9419-b2f7f11ccc64 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9900ac6c-9089-4710-949b-a1002b5100e4 Environmental → Air → Indoor EF 3.1 kg 2
3be8a872-a473-43f0-b0ad-0c9d40e6d9da Environmental → Air → Long-term EF 3.1 kg 0
782be7bb-4f51-46e3-b11b-425cc4327f50 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fc6f3ca0-814a-4343-9eec-88ba35be4b0d Environmental → Air → Unknown EF 3.1 kg 2
fe683d47-2ed4-4d8e-9627-1acaaeb75367 Environmental → Ground → Agricultural EF 3.1 kg 2
c329cad0-388e-44a1-a0a5-2b76a8de61cc Environmental → Ground → Non-agricultural EF 3.1 kg 2
45f18ef7-48aa-4330-8843-e0b26299a63c Environmental → Ground → Unknown EF 3.1 kg 2
9412e322-d0c4-4dae-a47d-95b62aa3fbb1 Environmental → Water → Long-term EF 3.1 kg 0
4d34fe34-6725-41d6-850c-eedce0ca6450 Environmental → Water → Ocean EF 3.1 kg 2
b3482e59-5286-49a6-adcb-601f2eb25653 Environmental → Water → Surface water EF 3.1 kg 2
a5ebadad-a1b8-472d-aaf1-0150a08b8792 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9ca2beb911b803b8",
  "prefLabel": [
    {
      "@value": "Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4,6-Dimethoxy-pyrimidin-2-yl)-carbamic acid phenyl ester",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Phenoxycarbonylamino-4,6-dimethoxypyrimidine",
      "@language": "en",
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    },
    {
      "@value": "4,6-Dimethoxy-2-(phenoxycarbonylamino)pyrimidine",
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      }
    },
    {
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