2-(Diethylamino)ethyl 2,3,5,6-tetramethylbenzoate hydrochloride
Basic information
- CAS
93735-80-9- Standard SMILES
CC[NH+](CC)CCOC(=O)c1c(C)c(C)cc(C)c1C.[Cl-]- InChIKey
ZHVOFWBUSZFSIF-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1808568
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2,3,5,6-tetramethylbenzoate hydrochloride
- IUPAC
- diethyl-[2-(2,3,5,6-tetramethylbenzoyl)oxyethyl]azanium chloride
Names & synonyms
2-Diethylaminoethyl 2,3,5,6-tetramethylbenzoate hydrochlorideBENZOIC ACID, 2,3,5,6-TETRAMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE93735-80-964KLH6P3C62-(Diethylamino)ethyl 2,3,5,6-tetramethylbenzoate hydrochlorideRefChem:1061633NSC-27665NSC 276652,3,5,6-Tetramethylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride
Database identifiers
- CAS
93735-80-9- PubChem CID
- 56697
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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