2-(Diethylamino)ethyl 2-phenylhexanoate
Basic information
- CAS
78266-04-3- Standard SMILES
CCCCC(C(=O)OCCN(CC)CC)c1ccccc1- InChIKey
VKQQEHYPULXYRH-UHFFFAOYSA-N- Molecular formula
- C18H29NO2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.21982917
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2-phenylhexanoate
- IUPAC
- 2-(diethylamino)ethyl 2-phenylhexanoate
Names & synonyms
2-(Diethylamino)ethyl 2-phenylhexanoate78266-04-3DTXSID40999606RefChem:1061660DTXCID2014265782-Phenylhexanoic acid 2-(diethylamino)ethyl esterBRN 2469145HEXANOIC ACID, 2-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
Database identifiers
- CAS
78266-04-3- PubChem CID
- 54157
- DTXSID
DTXSID40999606- Nikkaji
- J73.721F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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