Consensus flow list

Identity

Type
NeutralMolecule
CAS
4559-86-8
EC
224-929-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1,3,3-tetrabutylurea

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SNDGLCYYBKJSOT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
IUPAC name chemrof:IUPAC_name 1,1,3,3-tetrabutylurea
Molecular formula chemrof:molecular_formula C17H36N2O
Molecular mass chemrof:molecular_mass 284.488
Monoisotopic mass chemrof:monoisotopic_mass 284.282764
SMILES string chemrof:smiles_string CCCCN(CCCC)C(=O)N(CCCC)CCCC

Known URLs

9

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=4559-86-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.664 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7043902 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3892 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184697 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/736CY99V47 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J143.384I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20691 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27266145 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b37a655b-38dd-4898-94e2-0f8c98df36f9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3402660d-ce35-468f-acf6-62ea02fb3d38 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a0990761-bdac-4796-9be3-0c158d6902bb Environmental → Air → Indoor EF 3.1 kg 2
b88b99e1-8d4c-42ce-94c9-a582c7d10962 Environmental → Air → Long-term EF 3.1 kg 0
81fecfe6-6fb1-4030-9486-5bb8d7e51e68 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e835b758-c3fe-4543-99c3-5996164628e3 Environmental → Air → Unknown EF 3.1 kg 2
6d4884a2-030c-4333-9080-c8de2b987331 Environmental → Ground → Agricultural EF 3.1 kg 2
033aeedc-ede0-4326-94a0-61df04759b7d Environmental → Ground → Non-agricultural EF 3.1 kg 2
e079cb3c-4580-4963-8fc0-811a43f02da5 Environmental → Ground → Unknown EF 3.1 kg 2
2df110a9-4081-4120-85a4-1c226e9547e2 Environmental → Water → Long-term EF 3.1 kg 0
3ef64372-8355-42bc-8a72-cb0f2264dcf3 Environmental → Water → Ocean EF 3.1 kg 2
c6ecdb82-818c-4fdb-8e81-163405f81142 Environmental → Water → Surface water EF 3.1 kg 2
e0fd54ec-591f-4bda-a813-7c6b6a3bc80e 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-6386e8b90a0d3353",
  "prefLabel": [
    {
      "@value": "1,1,3,3-tetrabutylurea",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "N,N,N′,N′-Tetrabutylurea",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrabutylurea",
      "@language": "en",
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      }
    },
    {
      "@value": "Urea, 1,1,3,3-tetrabutyl-",
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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