Basic information
- CAS
17184-85-9- Standard SMILES
CCCC1(c2cccc(OC(C)=O)c2)CN(C)C1- InChIKey
RNHRBVLFTLTWHO-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- Phenol, 3-(1-methyl-3-propyl-3-azetidinyl)-acetate ester
- IUPAC
- [3-(1-methyl-3-propylazetidin-3-yl)phenyl] acetate
Names & synonyms
BRN 14686293-(1-Methyl-3-propyl-3-azetidinyl)phenol acetatePhenol, 3-(1-methyl-3-propyl-3-azetidinyl)-acetate ester17184-85-9DTXSID70169178RefChem:369118DTXCID80916693-(1-methyl-3-propylazetidin-3-yl)phenyl acetate
Database identifiers
- CAS
17184-85-9- PubChem CID
- 205010
- DTXSID
DTXSID70169178- Nikkaji
- J86.613J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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