1-(4-cyanophenyl)-N-methylmethanimine oxide
Basic information
- CAS
16089-70-6- Standard SMILES
C/[N+]([O-])=C\c1ccc(C#N)cc1- InChIKey
FFCBANXLHSMECF-YRNVUSSQSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 1-(4-cyanophenyl)-N-methylmethanimine oxide
- IUPAC
- 1-(4-cyanophenyl)-N-methylmethanimine oxide
Names & synonyms
1-(4-cyanophenyl)-N-methylmethanimine oxideBenzonitrile, 4-((methylimino)methyl)-, N(4)-oxide16089-70-6HMS1538N07HMS1783G19AKOS001055953NSC 376695Benzonitrile,4-[(methylimino)methyl]-N(4)-oxide
Database identifiers
- CAS
16089-70-6- PubChem CID
- 3036337
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
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Compound notes
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