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77-23-6

77-23-6 structural image
Product Name: Pentoxyverine
Formula: C20H31NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 165-170 °C @ 0.01 MM OF HG
Melting Point 90-95
Solubility 1 g/10 ml
Collision Cross Section 175.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2230 2230 2250 2275 2232
Other Experimental Properties CRYSTALS; MP: 93 °C; FREELY SOL IN WATER, CHLOROFORM; SOL IN ALC, ACETONE, ETHYL ACETATE; PRACTICALLY INSOL IN ETHER, PETROLEUM ETHER, BENZENE /CITRATE/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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 333.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 11
Exact Mass 333.23039385 g/mol
Monoisotopic Mass 333.23039385 g/mol
Topological Polar Surface Area 38.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 356
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.