Benzoic acid, p-amino-, 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester, hydrochloride
Basic information
- CAS
69781-02-8- Standard SMILES
C[NH+](CCCOC(=O)c1ccc(N)cc1)CCCc1ccccc1.[Cl-]- InChIKey
QGPLGWBGLZDDLE-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2O2
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1761058
Names & identifiers
- Preferred name
- Benzoic acid, p-amino-, 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester, hydrochloride
- IUPAC
- 3-(4-aminobenzoyl)oxypropyl-methyl-(3-phenylpropyl)azanium chloride
Names & synonyms
Benzoic acid, p-amino-, 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester, hydrochloride69781-02-8RefChem:1079300p-Aminobenzoic acid 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester hydrochloride
Database identifiers
- CAS
69781-02-8- PubChem CID
- 50730
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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