Basic information
- CAS
23958-95-4- Standard SMILES
COc1cccc(C(=O)OCC[NH+](C)C)c1O.[Cl-]- InChIKey
PFLMCXUYRDKVFU-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO4
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0924357
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 2-hydroxy-3-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(2-hydroxy-3-methoxybenzoyl)oxyethyl-dimethylazanium chloride
Names & synonyms
23958-95-4DTXSID909467812-(Dimethylamino)ethyl 2-hydroxy-3-methoxybenzoate--hydrogen chloride (1/1)RefChem:1061789DTXCID301375055BENZOIC ACID, 2-HYDROXY-3-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-Hydroxy-3-methoxybenzoic acid hydrochloride, 2-(dimethylamino)ethyl ester
Database identifiers
- CAS
23958-95-4- PubChem CID
- 32157
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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