Basic information
- CAS
4386-76-9- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC- InChIKey
YQRFAPMGXPGMSM-UHFFFAOYSA-N- Molecular formula
- C18H30NO5+
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.21239806
Names & identifiers
- Preferred name
- Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate
- IUPAC
- triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium
Names & synonyms
4386-76-9Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoateUNII-O3G618B085O3G618B085Triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azaniumDTXSID00195965Q27285281N,N,N-Triethyl-2-[(2,3,4-trimethoxybenzoyl)oxy]ethan-1-aminium
Database identifiers
- CAS
4386-76-9- PubChem CID
- 9804
- DTXSID
DTXSID00195965
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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