Consensus flow list

Identity

Type
Neutral molecule
CAS
694-83-7
EC
211-776-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cyclohexane-1,2-diamine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SSJXIUAHEKJCMH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
IUPAC name chemrof:IUPAC_name Cyclohexane-1,2-diamine
Molecular formula chemrof:molecular_formula C6H14N2
Molecular mass chemrof:molecular_mass 114.192
Monoisotopic mass chemrof:monoisotopic_mass 114.115698
SMILES string chemrof:smiles_string NC1CCCCC1N

Known URLs

13

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=694-83-7 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:93778 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.707 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027301 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=362640 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=362641 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1356279 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243564 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.937J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4610 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27165475 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Diaminocyclohexane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
86f26d49-3d74-4fa4-9f45-9346b20ca1b8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
963d8978-715c-4325-8d06-dacd12d544e4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
386f7d9d-a81c-4b9d-9cf7-1fad218c7164 Environmental → Air → Indoor EF 3.1 kg 4
b10cb24b-16c8-4e86-9380-2b73f667f77c Environmental → Air → Long-term EF 3.1 kg 0
c72a9938-d308-4130-b41c-108226e9b826 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9d3dc4d1-9da6-4026-88cf-7745af01e340 Environmental → Air → Unknown EF 3.1 kg 4
5e945471-9d6f-4048-bd58-ef30c108a936 Environmental → Ground → Agricultural EF 3.1 kg 4
b1a73771-f62a-4aad-9b3d-16d00d37f97c Environmental → Ground → Non-agricultural EF 3.1 kg 4
b7c23730-6f0d-446e-8d99-821e865d014a Environmental → Ground → Unknown EF 3.1 kg 4
67d7e37e-7865-4e45-ac5d-1c6da90a0488 Environmental → Water → Long-term EF 3.1 kg 0
e5d9cd28-2675-4e7f-90d5-3bc55c971856 Environmental → Water → Ocean EF 3.1 kg 4
9d64767b-c3ba-4bb7-891f-2f980e46449b Environmental → Water → Surface water EF 3.1 kg 4
4d7b7fd1-5b9e-45bc-9c1e-7ac85d2c809a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Cyclohexanediamine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
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    },
    {
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