Consensus flow list

Identity

Type
Neutral molecule
CAS
5888-87-9
EC
227-563-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YOVRNJUIHVNXCB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)
IUPAC name chemrof:IUPAC_name 1H-Azepine-1-carboxamide, N,N′-1,6-hexanediylbis[hexahydro-2-oxo-
Molecular formula chemrof:molecular_formula C20H34N4O4
Molecular mass chemrof:molecular_mass 394.516
Monoisotopic mass chemrof:monoisotopic_mass 394.258006
SMILES string chemrof:smiles_string O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O

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=5888-87-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.025.057 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9064051 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7BLC62KT66 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.123A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79991 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81991202 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0680b3ea-ae78-44c7-a12f-3e3bed2a0566 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6cfb6808-f86f-48b9-bd65-4a50c3202858 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3a395c4d-e5e5-4eb7-af2f-532acad25c82 Environmental → Air → Indoor EF 3.1 kg 2
2e96126c-65cc-4f88-8a2a-8bd14c24d162 Environmental → Air → Long-term EF 3.1 kg 0
0d654aeb-b12a-4ada-989e-89e1915c0d01 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0674ff2c-c5e7-4617-83c2-eaf821cb0b4d Environmental → Air → Unknown EF 3.1 kg 2
b6b04a0f-63de-4b78-8370-08fa571d0e57 Environmental → Ground → Agricultural EF 3.1 kg 2
0a44410c-b327-4f84-949e-5315a6467f01 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6dfbc4d6-756f-4a11-a064-8a773c0492cc Environmental → Ground → Unknown EF 3.1 kg 2
0ee78271-a56c-402d-862d-163857d0cf58 Environmental → Water → Long-term EF 3.1 kg 0
032f09bd-a2d1-4b01-965f-b33b9109c63b Environmental → Water → Ocean EF 3.1 kg 2
6ca916cf-728a-4ea0-bbe3-0abaab9ecd4c Environmental → Water → Surface water EF 3.1 kg 2
e600f524-ba25-460e-addd-d8880911031f 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
{
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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