Basic information
- CAS
78329-91-6- Standard SMILES
CCCCN(CCCC)CCCOCc1ccc(C(=O)OCC)cc1- InChIKey
HOOWPNUGOVLMOE-UHFFFAOYSA-N- Molecular formula
- C21H35NO3
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.26169398
Names & identifiers
- Preferred name
- BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTER
- IUPAC
- ethyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Names & synonyms
78329-91-6BENZOIC ACID, p-((3-DIBUTYLAMINOPROPOXY)METHYL)-, ETHYL ESTERBRN 3391194p-((3-Dibutylaminopropoxy)methyl)benzoic acid ethyl esterEthyl p-((3-dibutylaminopropoxy)methyl)benzoateDTXSID70228991ETHYL 4-{[3-(DIBUTYLAMINO)PROPOXY]METHYL}BENZOATE
Database identifiers
- CAS
78329-91-6- PubChem CID
- 54182
- DTXSID
DTXSID70228991- Nikkaji
- J73.940E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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