Consensus flow list

Identity

Type
Neutral molecule
CAS
5459-93-8
EC
226-733-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-ethylcyclohexanamine

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AGVKXDPPPSLISR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
IUPAC name chemrof:IUPAC_name N-ethylcyclohexanamine
Molecular formula chemrof:molecular_formula C8H17N
Molecular mass chemrof:molecular_mass 127.231
Monoisotopic mass chemrof:monoisotopic_mass 127.1361
SMILES string chemrof:smiles_string CCNC1CCCCC1

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=5459-93-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.303 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8063913 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6272 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YJK13P0H3E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.471K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21609 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26840752 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55949a6c-8ca2-46a2-a870-bd6bbdc3aa73 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
28a5dff9-0810-40d5-9a85-5bded609624c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cc9a8d7e-dbcf-4b9a-82a9-566d6cc77d3a Environmental → Air → Indoor EF 3.1 kg 2
e1b3efff-36bc-4df4-bfba-7f171a207be1 Environmental → Air → Long-term EF 3.1 kg 0
5c1306fd-239f-406c-b1c5-5aae1a8de9e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
de050ab7-a441-42b2-9f30-930f3992f948 Environmental → Air → Unknown EF 3.1 kg 2
af481eea-cd58-4f5d-944d-14de1fa8b7fa Environmental → Ground → Agricultural EF 3.1 kg 2
41c2062f-999e-4ddd-9c9d-dffa2e8b783a Environmental → Ground → Non-agricultural EF 3.1 kg 2
0f82998d-a425-45d1-9611-ff7002116f9f Environmental → Ground → Unknown EF 3.1 kg 2
367bdbb1-40bd-4e92-9e2b-45f46a2724af Environmental → Water → Long-term EF 3.1 kg 0
8ccb77d5-41bb-4b51-98d8-7a29b38b4c92 Environmental → Water → Ocean EF 3.1 kg 2
b6514a06-6638-432d-a40e-ed41d27ab508 Environmental → Water → Surface water EF 3.1 kg 2
95c64d10-9d74-4180-a9c3-9a1da8eb13ab 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-6223b8ca178025ff",
  "prefLabel": [
    {
      "@value": "N-ethylcyclohexanamine",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "(Ethylamino)cyclohexane",
      "@language": "en",
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    {
      "@value": "Cyclohexylamine, N-ethyl-",
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    {
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