Eicosanenitrile
Basic information
- CAS
4616-73-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCC#N- InChIKey
BYCIKRXQXRFYED-UHFFFAOYSA-N- Molecular formula
- C20H39N
- Average molar mass
- 293.5 g/mol
- Monoisotopic mass
- 293.30825025
Names & identifiers
- Preferred name
- Eicosanenitrile
- IUPAC
- icosanenitrile
- English name
- Icosanenitrile
- Molecular formula
- C20H39N
- Molecular weight
- 293.53
Names & synonyms
EicosanenitrileEicosanonitrile4616-73-3OST0HZ759AUNII-OST0HZ759ADTXSID10196746RefChem:136395DTXCID50119237BYCIKRXQXRFYED-UHFFFAOYSA-NIcosanenitrileIcosanenitrile #octadecyl-acetonitrile
Show more names
SCHEMBL2154283SCHEMBL4754613SCHEMBL4754615
Database identifiers
- CAS
4616-73-3- PubChem CID
- 78358
- DTXSID
DTXSID10196746- UNII
- OST0HZ759A
- Nikkaji
- J27.724J
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 50.6 °C · 50.6°C
- Boiling point
- 400.37 °C · 400.37°C (estimate)
- Density
- 0.8523 · 0.8523 (estimate)
- refractive index
- 1.4439 · 1.4439 (estimate)
- FDA UNII
- 0 HZ759A · OST0HZ759A
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Related reactions
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Compound notes
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