Basic information
- CAS
124617-85-2- Standard SMILES
CC(=O)OCCCCCCCCONC(=O)c1ccccc1- InChIKey
FUFUOEIXJJOQFA-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- 8-Benzamidooxyoctyl acetate
- IUPAC
- 8-benzamidooxyoctyl acetate
- English name
- N-ACETOXY-N-OCTYLOXYBENZAMIDE
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.39
Names & synonyms
124617-85-28-benzamidooxyoctyl acetateCCRIS 5334N-Acetoxy-N-octyloxybenzamideAcetic acid,benzoyl(octyloxy)azanyl esterDTXSID50924883N-(ACETYLOXY)-N-(OCTYLOXY)BENZAMIDEN-{[8-(Acetyloxy)octyl]oxy}benzenecarboximidic acidAcetic acid, benzoyl(octyloxy)azanyl ester
Database identifiers
- CAS
124617-85-2- PubChem CID
- 154237
- DTXSID
DTXSID50924883
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 384.49 · 384.490±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.76 · 4.76
- Toxicity
- 0.12 mmol/plate/72H · mic-sat 0.12 mmol/plate/72H MUREAV 494,115,2001
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mic-sat 0.12 mmol/plate/72H MUREAV 494,115,2001
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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