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5878-61-5

5878-61-5 structural image
Product Name: 7-(2-CHLOROETHYL)THEOPHYLLINE
Formula: C9H11ClN4O2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 242.66 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 242.0570533 g/mol
Monoisotopic Mass 242.0570533 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 325
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

7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine.