3-(Diethylamino)propyl 2-phenylhexanoate
Basic information
- CAS
78266-05-4- Standard SMILES
CCCCC(C(=O)OCCCN(CC)CC)c1ccccc1- InChIKey
SDPKHSVTANWCCH-UHFFFAOYSA-N- Molecular formula
- C19H31NO2
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.23547923
Names & identifiers
- Preferred name
- 3-(Diethylamino)propyl 2-phenylhexanoate
- IUPAC
- 3-(diethylamino)propyl 2-phenylhexanoate
Names & synonyms
3-(Diethylamino)propyl 2-phenylhexanoate78266-05-4DTXSID00999607RefChem:1067064DTXCID9014265792-Phenylhexanoic acid 3-(diethylamino)propyl esterBRN 2470465HEXANOIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER
Database identifiers
- CAS
78266-05-4- PubChem CID
- 49618
- DTXSID
DTXSID00999607- Nikkaji
- J73.722D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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