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77500-04-0

77500-04-0 structural image
Product Name: 2-AMINO-3,8-DIMETHYLIMIDAZO[4,5-F]QUINOXALINE
Formula: C11H11N5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow solid; [Toronto Research Chemicals MSDS]
Melting Point 295 - 300 °C
Vapor Pressure 0.00000002 [mmHg]
LogP log Kow = 1.01
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Dissociation Constants pKa1 = 1.43 (secondary amine); pKa2 = 5.23 (secondary amine)
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H341:Germ cell mutagenicity
H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 213.24 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 213.10144537 g/mol
Monoisotopic Mass 213.10144537 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 271
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

MeIQx is an imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef. It has a role as a mutagen, a carcinogenic agent, a genotoxin and a Maillard reaction product. It is an imidazoquinoxaline and an aromatic amine.