Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Basic information
- CAS
13971-87-4- Standard SMILES
CCCCCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1.[Cl-]- InChIKey
AGSPNRLFZALZRV-UHFFFAOYSA-N- Molecular formula
- C19H32ClNO3
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.2070716
Names & identifiers
- Preferred name
- Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- diethyl-[2-(4-hexoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
13971-87-4RefChem:1079146Benzoic acid, 4-(hexyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)p-(Hexyloxy)benzoic acid 2-diethylaminoethyl ester hydrochlorideBENZOIC ACID, p-(HEXYLOXY)-, 2-DIETHYLAMINOETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
13971-87-4- PubChem CID
- 26360
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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