Benzoic acid, p-(propylamino)-, 3-(benzylmethylamino)-2-hydroxypropyl ester, hydrochloride

benzyl-[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-methylazanium chloride

CAS: 100482-35-7

Molecular Formula	`C21H29ClN2O3`
Molecular Weight	392.9 g/mol
Topological Polar Surface Area	63.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	11
Exact Mass	392.18668
Heavy Atoms	27
Complexity	391.0

Chemical Identifiers

CAS Number	100482-35-7
SMILES	`CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)CC2=CC=CC=C2)O.[Cl-]`
InChIKey	`DSVZYEOGSRITDE-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, p-(propylamino)-, 3-(benzylmethylamino)-2-hydroxypropyl ester, hydrochloride (CAS: 100482-35-7) is a chemical compound with molecular formula C21H29ClN2O3 and molecular weight 392.9 g/mol. Its IUPAC systematic name is benzyl-[2-hydroxy-3-[4-(propylamino)benzoyl]oxypropyl]-methylazanium chloride. Topological Polar Surface Area 63.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 11 Exact Mass 392.18668 Heavy Atoms 27 Complexity 391.0 InChI Key: DSVZYEOGSRITDE-UHFFFAOYSA-N. SMILES: CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+](C)CC2=CC=CC=C2)O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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