Basic information
- CAS
23966-71-4- Standard SMILES
CCCCOc1c(OC)cccc1C(=O)OCC[NH2+]C(C)C.[Cl-]- InChIKey
XUWZZJXBIFVOSR-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO4
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1706861
Names & identifiers
- Preferred name
- Benzoic acid, 2-butoxy-3-methoxy-, 2-(isopropylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-propan-2-ylazanium chloride
Names & synonyms
23966-71-42-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(isopropylamino)ethyl esterBENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(ISOPROPYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:326834
Database identifiers
- CAS
23966-71-4- PubChem CID
- 32174
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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