Basic information
- Standard SMILES
N#CC(N)COc1ccccc1- InChIKey
DNEJZDBNECLGQF-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 2-Amino-3-phenoxypropanenitrile
- IUPAC
- 2-amino-3-phenoxypropanenitrile
Names & synonyms
2-Amino-3-phenoxypropanenitrilePropanenitrile, 2-amino-3-phenoxy-110888-09-0SCHEMBL97473762-amino-3-phenoxy propionitrile2-amino-3-phenoxy-propionitrileDNEJZDBNECLGQF-UHFFFAOYSA-NAKOS011180878
Database identifiers
- PubChem CID
- 13983271
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Related reactions
6 records
Compound notes
Loading…