Caprolactam
fo-93c107845d9c319e
Identity
- Type
- Neutral molecule
- CAS
- 105-60-2
- EC
- 203-313-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
26- 1-Aza-2-cycloheptanone
- 2-Azacycloheptanone
- 2-ketohexamethyleneimine
- 2-Ketohexamethylenimine
- 2-Oxoazepane
- 2-oxohexamethylenimine
- 2-Perhydroazepinone
- 2H-Azepin-2-one, hexahydro-
- 6-Aminohexanoic acid lactam
- 6-caprolactam
- 6-Hexanelactam
- aminocaproic lactam
- AP (lactam)
- AP-Nylon
- azepan-2-one
- epsilon-Caprolactam
- Hexahydro-1H-azepin-2-one
- Hexahydro-2-azepinone
- hexahydro-2H-azepin-2-one
- Hexano-6-lactam
- Hexanoic acid, 6-amino-, cyclic lactam
- Hexanolactam
- Kaprolaktam
- MeSH ID: D002209
- ε-Caprolactam
- ω-Caprolactam
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| IUPAC name chemrof:IUPAC_name | Caprolactam |
| Molecular formula chemrof:molecular_formula | C6H11NO |
| Molecular mass chemrof:molecular_mass | 113.16 |
| Monoisotopic mass chemrof:monoisotopic_mass | 113.08406, 113.084064 |
| SMILES string chemrof:smiles_string | O=C1CCCCCN1 |
Known URLs
37Where 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=105-60-2 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9012-16-2 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/CM381378.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28579 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.013 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.117.420 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.127.470 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0118 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4020240 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=117393 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25536 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4977 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL276218 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/16-hexalactam | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:101802 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6879X594Z8 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0062769 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2933.71.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.605F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06593 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06593 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00000318 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51773 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-883 | enrich_references.chebi_xrefs |
| patent | patent:KR20120003540 | enrich_references.chebi_xrefs |
| patent | patent:US2011183386 | enrich_references.chebi_xrefs |
| patent | patent:WO2011108251 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:ICC | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7768 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018627 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17161908 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2263224 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9688819 | enrich_references.chebi_xrefs |
| reaxys | reaxys:106934 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0432 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q409397 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Caprolactam | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f21438e0-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-91ea-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 9e8a04b7-b869-41bd-82fb-f5bf542867f3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9fd0-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-91eb-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-9fcf-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9c79-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aff6-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aff2-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aff4-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-aff7-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-aff3-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| eba8f36b9c17b1e68170a3ef216c24e0848624c9 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-aff5-0050c2490048 | 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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{
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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