1134-47-0
Product Name:
Baclofen
Formula:
C10H12ClNO2
Synonyms:
(±)-β-(Aminomethyl)-4-chlorobenzenepropanoic acid;(±)-Baclofen;Lioresal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Baclofen appears as odorless or practically odorless white to off-white crystalline powder. (NTP, 1992) |
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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 |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
COMPUTED DESCRIPTORS
Molecular Weight | 213.66 g/mol |
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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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