Basic information
- CAS
57494-86-7- Standard SMILES
CCCCCCNC(=O)c1ccc(OCC(O)CNC(C)C)cc1- InChIKey
PHTBIBDQIAHNNJ-UHFFFAOYSA-N- Molecular formula
- C19H32N2O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.24129289
Names & identifiers
- Preferred name
- Benzamide, N-hexyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-
- IUPAC
- N-hexyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
- English name
- N-Hexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzamide
- Molecular formula
- C19H32N2O3
- Molecular weight
- 336.47
Names & synonyms
57494-86-7BRN 2874366N-Hexyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzamideBENZAMIDE, N-HEXYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-N-Hexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzamideRefChem:322503DTXSID80973021N-Hexyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzamideDB-321178Benzamide, N-hexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
Database identifiers
- CAS
57494-86-7- PubChem CID
- 42379
- DTXSID
DTXSID80973021- Nikkaji
- J73.137D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 128 · 128-130 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 540.6 · 540.6±45.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…