BENZOIC ACID, 3-(N-METHYL-N-(4-PHENYLBUTYL)AMINO)PROPYL ESTER, HYDROCHLORIDE

3-benzoyloxypropyl-methyl-(4-phenylbutyl)azanium chloride

CAS: 67031-86-1

Molecular Formula	`C21H28ClNO2`
Molecular Weight	361.9 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	11
Exact Mass	361.18085
Heavy Atoms	25
Complexity	333.0

Chemical Identifiers

CAS Number	67031-86-1
SMILES	`C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=CC=C2.[Cl-]`
InChIKey	`KNEBKPAADGTRIF-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3-(N-METHYL-N-(4-PHENYLBUTYL)AMINO)PROPYL ESTER, HYDROCHLORIDE (CAS: 67031-86-1) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.9 g/mol. Its IUPAC systematic name is 3-benzoyloxypropyl-methyl-(4-phenylbutyl)azanium chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 11 Exact Mass 361.18085 Heavy Atoms 25 Complexity 333.0 InChI Key: KNEBKPAADGTRIF-UHFFFAOYSA-N. SMILES: C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=CC=C2.[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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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