3-(Dimethylamino)benzene-1,2-dicarbonitrile
Basic information
- CAS
61109-17-9- Standard SMILES
CN(C)c1cccc(C#N)c1C#N- InChIKey
URTCWPZNJCAOGR-UHFFFAOYSA-N- Molecular formula
- C10H9N3
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.0796473
Names & identifiers
- Preferred name
- 3-(Dimethylamino)benzene-1,2-dicarbonitrile
- IUPAC
- 3-(dimethylamino)benzene-1,2-dicarbonitrile
Names & synonyms
3-(Dimethylamino)benzene-1,2-dicarbonitrile61109-17-9DTXSID80507648RefChem:275437DTXCID50458456dimethylamino phthalonitrileSCHEMBL10330189
Database identifiers
- CAS
61109-17-9- PubChem CID
- 12711024
- DTXSID
DTXSID80507648- Nikkaji
- J3.008.340G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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