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74214-62-3

74214-62-3 structural image
Product Name: ETHYL BETA-CARBOLINE-3-CARBOXYLATE
Formula: C14H12N2O2
Synonyms: β-CCE;Ethyl 9H-pyrido[3,4-b]indole-3-carboxylate
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 7.5 [ug/mL] (The mean of the results at pH 7.4)
Kovats Retention Index 2656

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 240.26 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 240.089877630 g/mol
Monoisotopic Mass 240.089877630 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 321
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

9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester is a member of beta-carbolines.