52605-52-4

Product Name: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride

Formula: C13H19Cl3N2

Synonyms: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride;Nefazodone Related Compound A;Trazodone Impurity F (Ph. Eur.)

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SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

SAFETY INFORMATION

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight	309.7 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	308.061382 g/mol
Monoisotopic Mass	308.061382 g/mol
Topological Polar Surface Area	6.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

Description

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride is a white-yellow crystalline powder, it is present as impurity in nefazodone hydrochloride (pharmaceutical formulation).