2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile
Basic information
- CAS
52962-65-9- Standard SMILES
N#CC(C#N)C(c1ccccc1)c1cccc2ccccc12- InChIKey
GIHZAEYFKLGPDY-UHFFFAOYSA-N- Molecular formula
- C20H14N2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.11569846
Names & identifiers
- Preferred name
- 2-[Naphthalen-1-yl(phenyl)methyl]propanedinitrile
- IUPAC
- 2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile
Names & synonyms
52962-65-92-[naphthalen-1-yl(phenyl)methyl]propanedinitrileNSC248887DTXSID80312012NSC-248887DS-012292[(Naphthalen-1-yl)(phenyl)methyl]propanedinitrilePROPANEDINITRILE,2-(1-NAPHTHALENYLPHENYLMETHYL)-
Database identifiers
- CAS
52962-65-9- PubChem CID
- 317352
- DTXSID
DTXSID80312012
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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