Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
Basic information
- CAS
108983-07-9- Standard SMILES
CCN(CC)CCOC(=O)c1c(C)cc(C)cc1C- InChIKey
VZVHWWWJZRQAOW-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2,4,6-trimethylbenzoate
Names & synonyms
BRN 2618665BENZOIC ACID, 2,4,6-TRIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER108983-07-92,4,6-Trimethylbenzoic acid 2-(diethylamino)ethyl esterDTXSID501487894-09-00-01858 (Beilstein Handbook Reference)RefChem:326544DTXCID70712802-(diethylamino)ethyl 2,4,6-trimethylbenzoateSCHEMBL13439992
Database identifiers
- CAS
108983-07-9- PubChem CID
- 60287
- DTXSID
DTXSID50148789
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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