Basic information
- CAS
76-91-5- Standard SMILES
CCCCOc1ccc(C(=O)OCCCN(CC)CC)cc1- InChIKey
WBSPEOVJZILIPJ-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- 3-(Diethylamino)propyl 4-butoxybenzoate
- IUPAC
- 3-(diethylamino)propyl 4-butoxybenzoate
Names & synonyms
DTXSID50226899
Database identifiers
- CAS
76-91-5- PubChem CID
- 6462
- DTXSID
DTXSID50226899
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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