Basic information
- CAS
67031-99-6- Standard SMILES
C[NH+](C)CCCOC(=O)c1ccc(OCCc2ccccc2)cc1.[Cl-]- InChIKey
LLYDYAVBTYLHOB-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO3
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1601214
Names & identifiers
- Preferred name
- Benzoic acid, p-phenethyloxy-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- dimethyl-[3-[4-(2-phenylethoxy)benzoyl]oxypropyl]azanium chloride
Names & synonyms
BENZOIC ACID, p-PHENETHYLOXY-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE67031-99-6RefChem:1079328p-Phenethyloxybenzoic acid 3-(dimethylamino)propyl ester hydrochloridegamma-Dimethylaminopropyl-4-(beta-phenylethoxy) benzoate hydrochloride
Database identifiers
- CAS
67031-99-6- PubChem CID
- 48969
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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