Basic information
- CAS
73728-39-9- Standard SMILES
CCCCOc1ccccc1C(=O)OCCN(CC)CC- InChIKey
KHYMHBOHKZSTSM-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- Benzoic acid, o-butoxy-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2-butoxybenzoate
- English name
- 2-(Diethylamino)ethyl=o-butoxybenzoate
- Molecular formula
- C17H27NO3
- Molecular weight
- 293.4
Names & synonyms
BRN 28100612-(Diethylamino)ethyl o-butoxybenzoateBENZOIC ACID, o-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER73728-39-9D-637DTXSID50224037RefChem:327778DTXCID501465282-(diethylamino)ethyl 2-butoxybenzoate2-(Diethylamino)ethyl=o-butoxybenzoateBenzoic acid, 2-butoxy-, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
73728-39-9- PubChem CID
- 52294
- DTXSID
DTXSID50224037- Nikkaji
- J73.894H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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