Basic information
- CAS
22684-77-1- Standard SMILES
CCCCOc1c(OC)cccc1C(=O)OCC[NH+](CC)CC.[Cl-]- InChIKey
BGLQEQJSABKOQX-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO4
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1863361
Names & identifiers
- Preferred name
- Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-diethylazanium chloride
Names & synonyms
22684-77-1BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:10789782-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(diethylamino)ethyl ester
Database identifiers
- CAS
22684-77-1- PubChem CID
- 31483
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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