Basic information
- CAS
67031-85-0- Standard SMILES
C[NH+](CCCOC(=O)c1ccccc1)CCc1ccccc1.[Cl-]- InChIKey
VOYQTGBMRPFQKE-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1495567
Names & identifiers
- Preferred name
- Benzoic acid, 3-(N-methyl-N-phenethylamino)propyl ester, hydrochloride
- IUPAC
- 3-benzoyloxypropyl-methyl-(2-phenylethyl)azanium chloride
Names & synonyms
BENZOIC ACID, 3-(N-METHYL-N-PHENETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE67031-85-0RefChem:1079065
Database identifiers
- CAS
67031-85-0- PubChem CID
- 48948
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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