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77094-11-2

77094-11-2 structural image
Product Name: 2-Amino-3,4-dimethyl-3H-imidazo[4,5-f]quinoline
Formula: C12H12N4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-amino-3,4-dimethylimidazo(4,5-f)quinoline appears as pale orange crystalline solid or light yellow powder. (NTP, 1992)
Color/Form Crystals
Melting Point 565 to 568 °F (NTP, 1992)
Solubility Slightly soluble (NTP, 1992)
LogP log Kow = 1.98
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Dissociation Constants pKa1 = 3.72 (secondary amine); pKa2 = 7.31 (secondary amine)
Chemical Classes Other Classes -> Polycyclic Aromatic Hydrocarbons

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 212.25 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 212.106196400 g/mol
Monoisotopic Mass 212.106196400 g/mol
Topological Polar Surface Area 56.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 270
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

2-amino-3,4-dimethylimidazo(4,5-f)quinoline appears as pale orange crystalline solid or light yellow powder. (NTP, 1992)