Pentanamide, 2-cyano-
Basic information
- CAS
89600-72-6- Standard SMILES
CCCC(C#N)C(N)=O- InChIKey
JRZLXTBWVCJQFZ-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- Pentanamide, 2-cyano-
- IUPAC
- 2-cyanopentanamide
- English name
- 2-cyanopentanamide
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
Pentanamide, 2-cyano-89600-72-6DTXSID30324221RefChem:368041DTXCID602753382-cyanopentanamidecyanovaleramideNSC406056NCIOpen2_003609SCHEMBL319940AKOS011118017NSC-406056
Database identifiers
- CAS
89600-72-6- PubChem CID
- 347394
- DTXSID
DTXSID30324221
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 122 °C · 122 °C
- Boiling point
- 299.4 · 299.4±23.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 17.83 · 17.83±0.50(Predicted)
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Compound notes
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