Contact us: +91 9550333722 040 - 40102781
Structured search
India
Choose your country
Different countries will display different contents
Try our best to find the right business for you.
My chemicalbook

Welcome back!

Homecas944-73-0

944-73-0

944-73-0 structural image
Product Name: 1,3-Dimethyluric acid
Formula: C7H8N4O3
Synonyms: 1,3-Dimethyl-2,6,8-trihydroxypurine;1,3-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione;Oxytheophylline
Inquiry

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 408 - 410 °C
Solubility 0.52 mg/mL at 18 °C
LogP -0.52
Collision Cross Section 142.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index 2052

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
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 196.16 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 196.05964013 g/mol
Monoisotopic Mass 196.05964013 g/mol
Topological Polar Surface Area 81.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 386
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

1,3-dimethyluric acid is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. It has a role as a metabolite. It is functionally related to a 7,9-dihydro-1H-purine-2,6,8(3H)-trione. It is a conjugate acid of a 1,3-dimethylurate anion.