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126-52-3

126-52-3 structural image
Product Name: ETHINAMATE
Formula: C9H13NO2
Synonyms: 1-Ethynylcyclohexanol carbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form NEEDLES FROM CYCLOHEXANE
Odor ESSENTIALLY ODORLESS
Taste Slightly bitter
Boiling Point 120 °C at 3.00E+00 mm Hg
Melting Point 94-96
Solubility 2500 mg/L (at 25 °C)
LogP 1.2
pH PH OF SATURATED SOLN ABOUT 6.5
Refractive Index INDEX OF REFRACTION: 1.530 ALPHA, 1.536 BETA, 1.546 GAMMA; OPTIC SIGN +
Kovats Retention Index 1369 1328 1349 1348 1349 1350 1352 1360 1395 1348 1352 1365 1343 1363 1370 1370
Other Experimental Properties LOWERS SURFACE TENSION IN SATURATED AQ SOLN @ 22 °C BY 21%

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 167.20 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 167.094628657 g/mol
Monoisotopic Mass 167.094628657 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 220
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

Ethinamate is a carbamate ester that is the 1-vinylcyclohexyl ester of carbamic acid. A short-acting sedative-hypnotic, it was formerly used to treat insomnia. It has a role as a sedative. It is a carbamate ester and a terminal acetylenic compound.