Basic information
- CAS
90868-17-0- Standard SMILES
N#CCCOc1ccc(N)cc1- InChIKey
LEYXQGDFCVWEGL-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 3-(4-Aminophenoxy)propanenitrile
- IUPAC
- 3-(4-aminophenoxy)propanenitrile
Names & synonyms
3-(4-aminophenoxy)propanenitrile90868-17-0Propanenitrile, 3-(4-aminophenoxy)-NSC123871SCHEMBL11798746DTXSID40298525AKOS010255525NSC-123871
Database identifiers
- CAS
90868-17-0- PubChem CID
- 276282
- DTXSID
DTXSID40298525
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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