2-Ethyl-2-(pyridin-4-yl)pentanedinitrile
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Basic information
- CAS
92788-12-0- Standard SMILES
CCC(C#N)(CCC#N)c1ccncc1- InChIKey
RVKHZVGEIPSUPC-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094742
Names & identifiers
- Preferred name
- 2-Ethyl-2-(pyridin-4-yl)pentanedinitrile
- IUPAC
- 2-ethyl-2-pyridin-4-ylpentanedinitrile
Names & synonyms
92788-12-02-Ethyl-2-(pyridin-4-yl)pentanedinitrileSCHEMBL9786746DTXSID40552093RVKHZVGEIPSUPC-UHFFFAOYSA-N4-cyano-4-(4-pyridyl)hexanonitrile
Database identifiers
- CAS
92788-12-0- PubChem CID
- 13900577
- DTXSID
DTXSID40552093
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Related reactions
1 records
Compound notes
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