Hexylamine
fo-ca382ff9365a02a1
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
Alternative labels
7- 1-aminohexane
- 1-Hexanamine
- 1-Hexaneamine
- 1-Hexylamine
- hexan-1-amine
- Mono-n-hexylamine
- N-hexylamine
Properties
| Property | Value |
|---|---|
| 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
21Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works