Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride

HCID 50818

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Basic information

CAS: 69781-65-3
Standard SMILES: C[NH+](CCOC(=O)c1ccc(N)cc1)Cc1ccccc1.[Cl-]
InChIKey: JXQWMXLRYRIQFQ-UHFFFAOYSA-N
Molecular formula: C17H21ClN2O2
Average molar mass: 320.8 g/mol
Monoisotopic mass: 320.1291556

Names & identifiers

Preferred name: Benzoic acid, p-amino-, 2-(N-benzyl-N-methylamino)ethyl ester, hydrochloride
IUPAC: 2-(4-aminobenzoyl)oxyethyl-benzyl-methylazanium chloride

Names & synonyms

BENZOIC ACID, p-AMINO-, 2-(N-BENZYL-N-METHYLAMINO)ETHYL ESTER, HYDROCHLORIDE69781-65-3RefChem:1079292p-Aminobenzoic acid 2-(N-benzyl-N-methylamino)ethyl ester hydrochloride

Database identifiers

CAS: 69781-65-3
PubChem CID: 50818

Properties

Computed structural properties

Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 308

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