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469-62-5

469-62-5 structural image
Product Name: PROPOXYPHENE
Formula: C22H29NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from petroleum ether
Melting Point 75.5 °C
Solubility 3.32 mg/L (at 25 °C)
LogP 4.18
Stability/Shelf Life ... Stable in solution at pH 2 to 3.5. /Propoxyphene hydrochloride/
Optical Rotation Specific optical rotation: +67.3 deg at 25 °C/D (chloroform, 0.6%)
Decomposition When heated to decomposition it emits toxic fumes of /Nitrogen oxides/. .
Dissociation Constants 9.06
Collision Cross Section 180.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2192 2181 2178 2181 2178 2165 2190 2180 2183 2186 2203 2229 2210 2180 2180 2188 2171.1 2151 2182.8 2182.8 2165 2178 2179 2180 2181 2181 2181 2181 2180 2210 2188 2190 2190
Other Experimental Properties Bitter crystals from methanol plus ethyl acetate; sol in water, alcohol, acetone, chloroform; practically insol in benzene, ether; mp: 163-168.5 °C; specific optical rotation: +59.8 deg at 25 °C/D (water, 0.6%) /Propoxyphene hydrochloride/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 339.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 339.219829168 g/mol
Monoisotopic Mass 339.219829168 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 397
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Dextropropoxyphene is the (1S,2R)-(+)-diastereoisomer of propoxyphene. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an enantiomer of a levopropoxyphene.