Basic information
- CAS
107738-97-6- Standard SMILES
COCC(CNCCc1ccc(C(C#N)=C(C#N)C#N)cc1)OC- InChIKey
DYTOPSZSLXOLJR-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Names & identifiers
- Preferred name
- 2-[4-[2-(2,3-Dimethoxypropylamino)ethyl]phenyl]ethene-1,1,2-tricarbonitrile
- IUPAC
- 2-[4-[2-(2,3-dimethoxypropylamino)ethyl]phenyl]ethene-1,1,2-tricarbonitrile
Database identifiers
- CAS
107738-97-6- PubChem CID
- 86104
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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