Consensus flow list

Identity

Type
Neutral molecule
CAS
3218-02-8
EC
221-741-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Cyclohexanemethylamine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AVKNGPAMCBSNSO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
IUPAC name chemrof:IUPAC_name Cyclohexanemethylamine
Molecular formula chemrof:molecular_formula C7H15N
Molecular mass chemrof:molecular_mass 113.204
Monoisotopic mass chemrof:monoisotopic_mass 113.120449
SMILES string chemrof:smiles_string NCC1CCCCC1

Known URLs

11

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=3218-02-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.765 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10185958 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02435 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=172991 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1049 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250653 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.566G enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147022 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76688 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q62062411 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
94ab5be1-0afc-4276-96e9-a19c1c948cdb Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3c71004f-bdcb-465d-a426-3cffa16c3ff9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d7f4d0e3-e0ac-4c41-aa61-01cc92500e04 Environmental → Air → Indoor EF 3.1 kg 2
910b68af-0263-49dc-9f24-b2ba17d43541 Environmental → Air → Long-term EF 3.1 kg 0
caa23b06-e430-4eec-bf07-917f7291d197 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7d459df2-ac97-44e0-8ddd-cbd1dc308cd4 Environmental → Air → Unknown EF 3.1 kg 2
28ea1c06-a3bc-4fcb-9d63-65236998e55b Environmental → Ground → Agricultural EF 3.1 kg 2
6434309d-f926-40e6-bbe6-6dc24babf35b Environmental → Ground → Non-agricultural EF 3.1 kg 2
12406843-f947-4caa-b767-653d876dc54f Environmental → Ground → Unknown EF 3.1 kg 2
970085df-d15f-4255-8549-97c9e4c96411 Environmental → Water → Long-term EF 3.1 kg 0
456ed423-e252-4be1-aa2b-eb8a87f9a4c6 Environmental → Water → Ocean EF 3.1 kg 2
ac29b130-2bba-4416-b686-efc19c9cb0ea Environmental → Water → Surface water EF 3.1 kg 2
c7323d35-4984-4677-a63f-817c94e5b357 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5225e1c5f62f6e18",
  "prefLabel": [
    {
      "@value": "Cyclohexanemethylamine",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Aminomethyl)cyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3218-02-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Cyclohexylmethanamine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C-Cyclohexyl-methylamine",
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      }
    },
    {
      "@value": "Cyclohexanemethanamine",
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    {
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    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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