Benzamide, N-(4-heptyl)-4-nitro-
Basic information
- CAS
40755-00-8- Standard SMILES
CCCC(CCC)NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
PBWSXVPTPHFPMX-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Names & identifiers
- Preferred name
- Benzamide, N-(4-heptyl)-4-nitro-
- IUPAC
- N-heptan-4-yl-4-nitrobenzamide
- English name
- 4-Nitro-N-(1-propylbutyl)benzamide
- Molecular formula
- C14H20N2O3
- Molecular weight
- 264.32
Names & synonyms
Benzamide, N-(4-heptyl)-4-nitro-4-Nitro-N-(1-propylbutyl)benzamideN-(4-Heptyl)-4-nitrobenzamideBRN 228906640755-00-8DTXSID10193735RefChem:322383DTXCID50116226n-(heptan-4-yl)-4-nitrobenzamideN-p-Nitrobenzoyl-4-heptylaminBenzamide, 4-nitro-N-(1-propylbutyl)-
Database identifiers
- CAS
40755-00-8- PubChem CID
- 218523
- DTXSID
DTXSID10193735- Nikkaji
- J54.792A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 429.8 · 429.8±28.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 13.22 · 13.22±0.46(Predicted)
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Related reactions
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Compound notes
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