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1134-47-0

1134-47-0 structural image
Product Name: Baclofen
Formula: C10H12ClNO2
Synonyms: (±)-β-(Aminomethyl)-4-chlorobenzenepropanoic acid;(±)-Baclofen;Lioresal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Baclofen appears as odorless or practically odorless white to off-white crystalline powder. (NTP, 1992)
Melting Point 372 to 376 °F (NTP, 1992)
Solubility less than 1 mg/mL at 64 °F (NTP, 1992)
LogP 1.3
Caco2 Permeability 0.9
Dissociation Constants 9.62 + 0.1 (amino group) and 3.87 + 0.1 (carboxyl group)
Collision Cross Section 149.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2018.1

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 213.66 g/mol
XLogP3 -1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 213.0556563 g/mol
Monoisotopic Mass 213.0556563 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 191
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Baclofen appears as odorless or practically odorless white to off-white crystalline powder. (NTP, 1992)

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