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3373-53-3

3373-53-3 structural image
Product Name: 6-Amino-3,7-dihydro-2H-purin-2-one
Formula: C5H5N5O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point > 360 °C
Solubility 0.0625 mg/mL
Collision Cross Section 127 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 151.13 g/mol
XLogP3 -1.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 151.04940980 g/mol
Monoisotopic Mass 151.04940980 g/mol
Topological Polar Surface Area 91.9 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 313
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

Isoguanine is an oxopurine that is 3,7-dihydro-purin-2-one in which the hydrogen at position 6 is substituted by an amino group.