Basic information
- CAS
139642-81-2- Standard SMILES
CCCCC1(C#N)c2ccccc2Cc2ccccc21- InChIKey
RPRPSBDZMSPXTD-UHFFFAOYSA-N- Molecular formula
- C19H19N
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.15174961
Names & identifiers
- Preferred name
- 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro-
- IUPAC
- 9-butyl-10H-anthracene-9-carbonitrile
Names & synonyms
9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro-139642-81-2DTXSID40346070RefChem:312944DTXCID302971439-Butyl-9-cyano-9,10-dihydroanthraceneRPRPSBDZMSPXTD-UHFFFAOYSA-N9-Butyl-9,10-dihydro-9-anthracenecarbonitrile #9-BUTYL-9,10-DIHYDROANTHRACENE-9-CARBONITRILE
Database identifiers
- CAS
139642-81-2- PubChem CID
- 609372
- DTXSID
DTXSID40346070
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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