Basic information
- CAS
73713-52-7- Standard SMILES
C[NH+](CCCCc1ccccc1)CCCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
XXSZBIPILFIURA-UHFFFAOYSA-N- Molecular formula
- C21H29ClN2O2
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.1917559
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride
- IUPAC
- 3-(4-aminobenzoyl)oxypropyl-methyl-(4-phenylbutyl)azanium chloride
Names & synonyms
Benzoic acid, p-amino-, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride73713-52-7RefChem:10793011-Propanol, 3-(N-methyl-N-4-phenylbutyl)amino-, p-aminobenzoate (ester), hydrochloridep-Aminobenzoic acid 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester hydrochloride
Database identifiers
- CAS
73713-52-7- PubChem CID
- 52254
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…