(7-methoxynaphthalen-1-yl)acetonitrile
fo-a7efad9704cc0834
Identity
- Type
- Neutral molecule
- CAS
- 138113-08-3
- EC
- 461-670-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
7- 1-Cyanomethyl-7-methoxynaphthalene
- 1-Naphthaleneacetonitrile, 7-methoxy-
- 2-(7-Methoxy-1-naphthyl)acetonitrile
- 2-(7-Methoxynaphthalen-1-yl)acetonitrile
- 7-Methoxy-1-naphthaleneacetonitrile
- 7-Methoxy-1-naphthylacetonitrile
- 7-Methoxynaphthalene-1-acetonitrile
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PYJMGUQHJINLLD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3 |
| IUPAC name chemrof:IUPAC_name | (7-methoxynaphthalen-1-yl)acetonitrile |
| Molecular formula chemrof:molecular_formula | C13H11NO |
| Molecular mass chemrof:molecular_mass | 197.237 |
| Monoisotopic mass chemrof:monoisotopic_mass | 197.084064 |
| SMILES string chemrof:smiles_string | COc1ccc2cccc(CC#N)c2c1 |
Known URLs
6Where 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=138113-08-3 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.148.928 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90460472 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.574.060D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11264068 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72517141 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 73a9e9fe-9f0b-4b73-8b34-ed4bde1d1308 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| b4644561-584c-4580-bc30-3afc9b7e3882 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 58666676-9d6c-4b67-8e09-be22a22e12e9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a805549a-aecd-465b-95ce-5900a1049a22 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ff8fe5c8-dd36-4f45-ade6-5eb88fcc9e60 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 8650e095-b070-4062-86e2-556a3280a18a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 174af04d-a1a0-49bf-959e-8918899e40ea | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 78e7d4ea-5454-42b0-959b-a3e5b3423122 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5063f623-5404-4032-bfc8-c5a7c1ed792c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 697e2c04-3052-47ce-b769-6bd140565b07 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 81ae6847-2e26-459f-a930-716ec558919f | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 95ab9acf-d430-41bd-b96b-bd4feacb9ced | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| b35d7a0c-94e7-4fb8-a6b5-b45559ed86f6 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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Something wrong here?
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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