Consensus flow list

Identity

Type
NeutralMolecule
CAS
51235-04-2
EC
257-074-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Hexazinone

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CAWXEEYDBZRFPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-cyclohexyl-6-dimethylamino-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione
Molecular formula chemrof:molecular_formula C12H20N4O2
Molecular mass chemrof:molecular_mass 252.318
Monoisotopic mass chemrof:monoisotopic_mass 252.158626, 252.15863
SMILES string chemrof:smiles_string CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C

Known URLs

15

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=51235-04-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5705 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.869 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4024145 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252598 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y51727MR1Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253153 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.187B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10926 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10926 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155894 enrich_references.pubchem_identifier_url
ppdb ppdb:384 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/39965 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q408234 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexazinone enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
72712565-5f31-46eb-9527-d16804a6590f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
01ba5949-e357-4755-8385-62358ddffd01 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
81a55aa5-eb47-42d5-8e80-87810a1e1f8d Environmental → Air → Indoor EF 3.1 kg 4
e7f99faf-b76c-4f63-8ffc-2bca25474732 Environmental → Air → Long-term EF 3.1 kg 0
a0d84b49-3962-4012-bf2b-15ea774d3043 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3f8f2422-1a9e-47e0-8694-aaaf22a121df Environmental → Air → Unknown EF 3.1 kg 4
667be1c7-b088-4ea1-a2d2-822253e23cb7 Environmental → Ground → Agricultural EF 3.1 kg 4
6d304007-b620-4be3-837a-04bc2d7bdade Environmental → Ground → Non-agricultural EF 3.1 kg 4
3b5c36ae6bb171eb77104a387491c9c4028fd807 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
5dcfc844-5c87-4a7b-baf2-db61bd09cd91 Environmental → Ground → Unknown EF 3.1 kg 4
6ffb0c83-eceb-40ac-ae7f-cddba914800e Environmental → Water → Long-term EF 3.1 kg 0
016cf6a4-41fe-4cd9-ba1a-ebe998e27c0e Environmental → Water → Ocean EF 3.1 kg 4
729d6ae0-d800-4be6-ae54-e73585937f16 Environmental → Water → Surface water EF 3.1 kg 4
743c9edc-b01f-4dc9-ae6c-961d2b1dd15e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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