2-cyclohexylidene-2-phenylacetonitrile
fo-8512675a72075efb
Identity
- Type
- Neutral molecule
- CAS
- 10461-98-0
- EC
- 423-740-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- Benzeneacetonitrile, α-cyclohexylidene-
- Peonile
- Petalia
- α-Cyclohexylidenebenzeneacetonitrile
- Δ1,α-Cyclohexaneacetonitrile, α-phenyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZHOOOLQOWQVYOE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2 |
| IUPAC name chemrof:IUPAC_name | 2-cyclohexylidene-2-phenylacetonitrile |
| Molecular formula chemrof:molecular_formula | C14H15N |
| Molecular mass chemrof:molecular_mass | 197.281 |
| Monoisotopic mass chemrof:monoisotopic_mass | 197.120449 |
| SMILES string chemrof:smiles_string | N#CC(=C1CCCCC1)c1ccccc1 |
Known URLs
8Where 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=10461-98-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.102.229 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.126.434 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5051527 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408284 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.470.173E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/66327 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81976683 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8472a033-1887-4a4b-8e5c-0006c0a4d43f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 15139185-2d42-43f5-8b90-9bf985641244 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2a666e5a-02b7-4273-bc99-4ffb67f211d2 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b49d9e05-2b38-4bdc-95b7-d7071c72bbfc | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 651c4b3c-2f2e-427e-9570-1ef0b74db7c0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 71eef3bf-f0de-4db1-9f3b-62f8f60ed9e2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 01922a9e-bbc1-42cb-95d3-77229b2630f6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f82d78f7-795b-451a-ab75-3911513ce547 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 789e3a26-5eb1-4b2e-98a4-726f36ee9481 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3f3d7ad3-8552-4697-aac8-76a185a980af | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d0442553-8029-4508-9fcb-6102e302bb6a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b537c98e-e3d8-455d-ac91-052b15a924f5 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 88706b7e-df33-4f8f-8761-1003473e2507 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 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