Basic information
- CAS
103983-94-4- Standard SMILES
N#CCc1ccc2ncccc2c1- InChIKey
SGSMUSDVKCMDGR-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Names & identifiers
- Preferred name
- (Quinolin-6-yl)acetonitrile
- IUPAC
- 2-quinolin-6-ylacetonitrile
- English name
- 2-(quinolin-6-yl)acetonitrile
- Molecular weight
- 0
Names & synonyms
103983-94-4(Quinolin-6-yl)acetonitrileDTXSID40621293RefChem:210787DTXCID705720472-(QUINOLIN-6-YL)ACETONITRILE6-Quinolineacetonitrile2-quinolin-6-ylacetonitrile6-quinolinylacetonitrilequinolin-6-ylacetonitrileQuinolin-6-yl-acetonitrileSCHEMBL836190
Show more names
SGSMUSDVKCMDGR-UHFFFAOYSA-NDEA98394AKOS009157732DB-084178EN300-312337
Database identifiers
- CAS
103983-94-4- PubChem CID
- 21992552
- DTXSID
DTXSID40621293
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
27 records
Compound notes
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