Benzoic acid, p-amino-, 3-(N-benzyl-N-methylamino)propyl ester, hydrochloride

HCID 50825

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Basic information

CAS: 69781-70-0
Standard SMILES: C[NH+](CCCOC(=O)c1ccc(N)cc1)Cc1ccccc1.[Cl-]
InChIKey: BOMAHWOUBQICSQ-UHFFFAOYSA-N
Molecular formula: C18H23ClN2O2
Average molar mass: 334.8 g/mol
Monoisotopic mass: 334.1448057

Names & identifiers

Preferred name: Benzoic acid, p-amino-, 3-(N-benzyl-N-methylamino)propyl ester, hydrochloride
IUPAC: 3-(4-aminobenzoyl)oxypropyl-benzyl-methylazanium chloride

Names & synonyms

BENZOIC ACID, p-AMINO-, 3-(N-BENZYL-N-METHYLAMINO)PROPYL ESTER, HYDROCHLORIDE69781-70-0RefChem:1079299p-Aminobenzoic acid 3-(N-benzyl-N-methylamino)propyl ester hydrochloride

Database identifiers

CAS: 69781-70-0
PubChem CID: 50825

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 321

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