Anilinoacetonitrile
fo-bdc2b42ee0c155ac
Identity
- Type
- Neutral molecule
- CAS
- 3009-97-0
- EC
- 221-129-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
12- (Phenylamino)acetonitrile
- 1-Anilinoacetonitrile
- 2-(Phenylamino)acetonitrile
- 2-Anilinoacetonitrile
- Acetonitrile, (phenylamino)-
- Acetonitrile, 2-(phenylamino)-
- Acetonitrile, anilino-
- Glycinonitrile, N-phenyl-
- N-(Cyanomethyl)aniline
- N-(Phenylamino)acetonitrile
- N-Phenylglycinonitrile
- Phenylglycine nitrile
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KAXCEFLQAYFJKV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2 |
| IUPAC name chemrof:IUPAC_name | Anilinoacetonitrile |
| Molecular formula chemrof:molecular_formula | C8H8N2 |
| Molecular mass chemrof:molecular_mass | 132.166 |
| Monoisotopic mass chemrof:monoisotopic_mass | 132.068748 |
| SMILES string chemrof:smiles_string | N#CCNc1ccccc1 |
Known URLs
10Where 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=3009-97-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.209 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID80184175 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7611 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1229843 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XBN69BE6X2 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.661I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76372 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166966 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27452740 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 92415614-bbda-496b-b283-8dd76cfcb102 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c7450d0e-d15c-44c6-9aa1-08c50b094637 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9079b778-b270-462c-b00d-dc66adaec0fa | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| b973c8a9-7e95-487a-b763-5652fdfa9578 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 11d3450f-81a5-43bd-b77c-d1dabb9e8f7c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e69d4475-b319-40f9-928b-8aa786ebf50b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d46cbbdd-7c4e-4517-b47a-b0b315358510 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3b500a43-70c2-40cd-81b6-4482c725c1e0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 598e285a-f843-4c61-a3bf-374da4211b52 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1435f308-2d37-4d64-999d-6be06868ec94 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a858b3ca-ac85-46f3-825a-77b4f104d255 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 70532f02-1f7a-4f58-ac77-f2134a79a4d9 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| d82d4892-b3b3-479c-876b-73a3ca00abf4 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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