Basic information
- Standard SMILES
CN(C)c1cccc(OCCCC#N)c1- InChIKey
OZBBZSKMVBSJLD-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
Names & identifiers
- Preferred name
- 4-(3-Dimethylaminophenoxy)butyronitrile
- IUPAC
- 4-[3-(dimethylamino)phenoxy]butanenitrile
Names & synonyms
SCHEMBL10661509OZBBZSKMVBSJLD-UHFFFAOYSA-NAKOS0060396524-(3-dimethylaminophenoxy)butyronitrile
Database identifiers
- PubChem CID
- 21294517
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
Loading…