Consensus flow list

Identity

Type
Neutral molecule
CAS
111-26-2
EC
203-851-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Hexylamine

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BMVXCPBXGZKUPN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
IUPAC name chemrof:IUPAC_name Hexylamine
Molecular formula chemrof:molecular_formula C6H15N
Molecular mass chemrof:molecular_mass 101.193
Monoisotopic mass chemrof:monoisotopic_mass 101.120449, 101.12045
SMILES string chemrof:smiles_string CCCCCCN

Known URLs

21

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=111-26-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5712 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.502 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1443 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021930 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2590 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1320720 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/hexylamine enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CI4E002ZV8 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032323 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.009J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08306 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08306 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001413 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45428 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8102 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2734 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018549 enrich_references.pubchem_identifier_url
reaxys reaxys:1731298 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q426238 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexylamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2cc66065-a132-42f8-b112-0470b1a56f8e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
788bdb14-e4ca-4a07-a09c-611392f77e42 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ff5fe54a-785b-48af-a4f2-7b13da1f907c Environmental → Air → Indoor EF 3.1 kg 4
bf72aadb-371c-4de0-b5ec-7dc70ba2c7cc Environmental → Air → Long-term EF 3.1 kg 0
3cad517f-d803-4e98-8a2c-cd436f00b578 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0829d1ce-9fa0-42c1-ac05-6b83926c997a Environmental → Air → Unknown EF 3.1 kg 4
222b83d3-5b7c-4628-8faa-97f5887f7b78 Environmental → Ground → Agricultural EF 3.1 kg 4
1698e038-3e13-442c-964f-82112212f73c Environmental → Ground → Non-agricultural EF 3.1 kg 4
c3d18ffd-e645-46c4-a5b6-60d267aa9a54 Environmental → Ground → Unknown EF 3.1 kg 4
b7e804ca-804c-47c1-9bd2-f3c6e1ec0744 Environmental → Water → Long-term EF 3.1 kg 0
c3fcdce1-c203-4d88-a789-2d3e58a031aa Environmental → Water → Ocean EF 3.1 kg 4
837aee19-0ce6-4774-9add-2f1458bd7bf4 Environmental → Water → Surface water EF 3.1 kg 4
09167921-9c0a-4078-9575-e42591dd5675 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ca382ff9365a02a1",
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  ],
  "altLabel": [
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-Hexanamine",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "1-Hexaneamine",
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    {
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    },
    {
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    },
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