2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
23959-17-3- Standard SMILES
CCCCOc1c(OC)cccc1C(=O)OCC[NH+](C)C.[Cl-]- InChIKey
YZFFIXWTRCZRMX-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO4
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.155036
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-dimethylazanium chloride
Names & synonyms
23959-17-3DTXSID709467842-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--hydrogen chloride (1/1)RefChem:1061785DTXCID401375058BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(dimethylamino)ethyl ester
Database identifiers
- CAS
23959-17-3- PubChem CID
- 32163
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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