Basic information
- CAS
23959-27-5- Standard SMILES
COc1cccc(C(=O)OCCN(C)C)c1OC.Cl- InChIKey
OVRNILYWDQLUFB-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO4
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.1080858
Names & identifiers
- Preferred name
- o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2,3-dimethoxybenzoate;hydrochloride
Names & synonyms
23959-27-5o-Veratric acid, 2-(dimethylamino)ethyl ester, hydrochlorideRefChem:1093723o-Veratric acid hydrochloride, 2-(dimethylamino)ethyl esterDTXSID509467872,3-Dimethoxybenzoic acid, 2-(dimethylamino)ethyl ester, hydrochlorideBenzoic acid, 2,3-dimethoxy-, 2-(dimethylamino)ethyl ester, hydrochloride2-(Dimethylamino)ethyl 2,3-dimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
23959-27-5- PubChem CID
- 90304
- DTXSID
DTXSID50946787
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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