Consensus flow list

Identity

Type
NeutralMolecule
CAS
4500-29-2
EC
224-809-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-(cyclohexylimino)diethanol

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HHPDFYDITNAMAM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2
IUPAC name chemrof:IUPAC_name 2,2'-(cyclohexylimino)diethanol
Molecular formula chemrof:molecular_formula C10H21NO2
Molecular mass chemrof:molecular_mass 187.283
Monoisotopic mass chemrof:monoisotopic_mass 187.157229
SMILES string chemrof:smiles_string OCCN(CCO)C1CCCCC1

Known URLs

8

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=4500-29-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.555 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5063499 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62844 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WWC2S3YAZ8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.516E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20587 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81990780 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d4d4712d-3f1e-4efe-8575-8689536139c6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7667b0c2-11e1-4da8-9783-dd587ddfd428 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b70f31ae-eb79-46b8-a829-ccb394f72da3 Environmental → Air → Indoor EF 3.1 kg 4
7f11a5e1-b797-416c-9ccc-0483df87b459 Environmental → Air → Long-term EF 3.1 kg 0
6635dce5-f5b4-4385-a86f-17d4dfc51206 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
10a8e549-a96d-4ab7-9acb-2b3efd08b1f4 Environmental → Air → Unknown EF 3.1 kg 4
89cf738e-d685-440a-8437-1feb7d89a296 Environmental → Ground → Agricultural EF 3.1 kg 4
c5b0a90b-b73f-4541-84ac-a8acc77c2070 Environmental → Ground → Non-agricultural EF 3.1 kg 4
579af5f1-423f-421f-b6c2-a2fafaecf9d4 Environmental → Ground → Unknown EF 3.1 kg 4
a1f9ce3a-429a-4308-b09f-8d0fd005e84f Environmental → Water → Long-term EF 3.1 kg 0
41c53d09-9c30-4b5d-a8c5-5ed72cf15814 Environmental → Water → Ocean EF 3.1 kg 4
c1538b6a-a502-4edc-847f-d8b2338dc0a9 Environmental → Water → Surface water EF 3.1 kg 4
a5b7b57e-8079-4a64-b3a1-252a7a74ccde Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a97baa6b2c690a79",
  "prefLabel": [
    {
      "@value": "2,2'-(cyclohexylimino)diethanol",
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  ],
  "altLabel": [
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      "@value": "2,2′-(Cyclohexylazanediyl)diethanol",
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    {
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    },
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      "@value": "2-[Cyclohexyl(2-hydroxyethyl)amino]ethan-1-ol",
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      "@value": "Blaunon CHA 2P",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "224-809-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-809-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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