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) |
|---|---|
| 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)