Consensus flow list

Identity

Type
Neutral molecule
CAS
17526-94-2
EC
241-523-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N',n'''-(4-methyl-1,3-phenylene)bis(1,1-dimethylurea)

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KDQTUCKOAOGTLT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
IUPAC name chemrof:IUPAC_name 1,1′-(4-Methyl-1,3-phenylene)bis[3,3-dimethylurea]
Molecular formula chemrof:molecular_formula C13H20N4O2
Molecular mass chemrof:molecular_mass 264.329
Monoisotopic mass chemrof:monoisotopic_mass 264.158626
SMILES string chemrof:smiles_string Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C

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=17526-94-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.733 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044606 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=375994 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186043 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/22X7S855O6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.070C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87146 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27253683 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fbb27e2f-4181-4a8c-8433-c55d5a5bb4a6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6c71fd5f-e202-4994-99eb-9184de7bdbc9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
89034055-6b94-4512-9691-d50b1baddd88 Environmental → Air → Indoor EF 3.1 kg 4
8edc084f-0548-479c-bde6-f3b080811ed5 Environmental → Air → Long-term EF 3.1 kg 0
167a4cf9-583e-4f2a-8fb0-f09598af958a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e12d2d7a-e8f6-40f3-a403-b0c8f85fda0a Environmental → Air → Unknown EF 3.1 kg 4
5f5295b7-dbb4-4c1c-b691-d2718879feb9 Environmental → Ground → Agricultural EF 3.1 kg 4
e53ebb8c-922c-44ce-ba57-e3617db2c5f8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dc00da0a-2d3e-4473-a120-842c3a637415 Environmental → Ground → Unknown EF 3.1 kg 4
fc504e35-8340-45d1-a527-369487a36f68 Environmental → Water → Long-term EF 3.1 kg 0
639a641d-7fe8-4733-9f6d-d82baec46ab8 Environmental → Water → Ocean EF 3.1 kg 4
6dc31d46-e712-4f9d-ba57-6915624d29ab Environmental → Water → Surface water EF 3.1 kg 4
10ca2e78-698f-4dcb-a7bb-668de4b1eebc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-115cd566b779a61e",
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