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28822-58-4

28822-58-4 structural image
Product Name: 3-ISOBUTYL-1-METHYLXANTHINE
Formula: C10H14N4O2
Synonyms: 1-Methyl-3-isobutylxanthine;3,7-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione;3-Isobutyl-1-methyl-2,6(1H,3H)-purinedione;3-Isobutyl-1-methylxanthine - CAS 28822-58-4 - Calbiochem;IBMX
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 147.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2150 2150 2150

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.

COMPUTED DESCRIPTORS

Molecular Weight 222.24 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 222.11167570 g/mol
Monoisotopic Mass 222.11167570 g/mol
Topological Polar Surface Area 69.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 318
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

3-isobutyl-1-methyl-9H-xanthine is a 3-isobutyl-1-methylxanthine. It is functionally related to a 9H-xanthine. It is a tautomer of a 3-isobutyl-1-methyl-7H-xanthine.

RELATED SUPPLIERS

Merck Ltd

1Y
product:28822-58-4 3-Isobutyl-1-methylxanthine 98%
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