Basic information
- CAS
14188-03-5- Standard SMILES
C[NH+](C)CCCOC(=O)c1ccccc1CCc1ccccc1.[Cl-]- InChIKey
VOOYCDZIQJWEBW-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO2
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1652068
Names & identifiers
- Preferred name
- Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride
- IUPAC
- dimethyl-[3-[2-(2-phenylethyl)benzoyl]oxypropyl]azanium chloride
Names & synonyms
BENZOIC ACID, o-PHENETHYL-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE14188-03-5RefChem:1079227o-Phenethylbenzoic acid 3-(dimethylamino)propyl ester hydrochloride(3-Dimethylaminopropyl)-2-(2-phenylethyl)benzoate hydrochloride
Database identifiers
- CAS
14188-03-5- PubChem CID
- 26544
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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