Propanedinitrile, 9-acridinyl-
Basic information
- CAS
97869-49-3- Standard SMILES
N#CC(C#N)c1c2ccccc2nc2ccccc12- InChIKey
NMFSTXKBKCKPFK-UHFFFAOYSA-N- Molecular formula
- C16H9N3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.0796473
Names & identifiers
- Preferred name
- Propanedinitrile, 9-acridinyl-
- IUPAC
- 2-acridin-9-ylpropanedinitrile
Names & synonyms
Propanedinitrile, 9-acridinyl-97869-49-39-Acridinylpropanedinitrile(Acridin-9-yl)propanedinitrileDTXSID90243308
Database identifiers
- CAS
97869-49-3- PubChem CID
- 150472
- DTXSID
DTXSID90243308
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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