Basic information
- CAS
67032-41-1- Standard SMILES
CCCCOc1ccc(C(=O)OCCC[NH+](C)C)cc1C.[Cl-]- InChIKey
IZXLHJDCLFVLLH-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO3
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1757714
Names & identifiers
- Preferred name
- Benzoic acid, 4-butoxy-3-methyl-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(4-butoxy-3-methylbenzoyl)oxypropyl-dimethylazanium chloride
Names & synonyms
BENZOIC ACID, 4-BUTOXY-3-METHYL-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE67032-41-1RefChem:10791624-Butoxy-3-methylbenzoic acid 3-(dimethylamino)propyl ester hydrochloridegamma-Dimethylaminopropyl-3-methyl-4-butoxy benzoate hydrochloride
Database identifiers
- CAS
67032-41-1- PubChem CID
- 49028
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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