Valeramide, N-hexyl-
Basic information
- CAS
10264-25-2- Standard SMILES
CCCCCCNC(=O)CCCC- InChIKey
HYTMILDAGQOHDF-UHFFFAOYSA-N- Molecular formula
- C11H23NO
- Average molar mass
- 185.31 g/mol
- Monoisotopic mass
- 185.17796436
Names & identifiers
- Preferred name
- Valeramide, N-hexyl-
- IUPAC
- N-hexylpentanamide
- English name
- N-Hexylpentanamide
- Molecular formula
- C11H23NO
- Molecular weight
- 185.31
Names & synonyms
Valeramide, N-hexyl-N-Hexylvaleramide10264-25-2Pentanamide, N-hexyl-AI3-35716-aGbBRN 2351740Pentanamide, N-hexylDTXSID10145431RefChem:193550DTXCID5067922HYTMILDAGQOHDF-UHFFFAOYSA-Nn-Hexylpentanamide
Show more names
n-Hexylpentanamide #SCHEMBL5539151SCHEMBL7307183SCHEMBL7695217SCHEMBL28422794AKOS003865743
Database identifiers
- CAS
10264-25-2- PubChem CID
- 82502
- DTXSID
DTXSID10145431- Nikkaji
- J113.676C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 319.55 °C · 319.55°C (rough estimate)
- Density
- 0.9315 · 0.9315 (rough estimate)
- refractive index
- 1.442 · 1.4420 (estimate)
- pka
- 16.66 · 16.66±0.46(Predicted)
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Related reactions
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Compound notes
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