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8-Aminohypoxanthine

CAT: 0572-TRC-A611805-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A611805-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
45893-20-7
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Nc1nc2C(=O)NC=Nc2[nH]1
Molecular Formula
C5 H5 N5 O
Molecular Weight
151.13
InChI
InChI=1S/C5H5N5O/c6-5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H4,6,7,8,9,10,11)
Additionnal Information
IUPAC name: 8-amino-1,9-dihydropurin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

8-amino-6,7-dihydro-1H-purin-6-one
CAS Number45893-20-7
PubChem CID135421879
IUPAC Name8-amino-1,7-dihydropurin-6-one
Molecular FormulaC5H5N5O
Molecular Weight151.13
XLogP-0.8
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity215
SMILES
C1=NC2=C(C(=O)N1)NC(=N2)N
InChI
InChI=1S/C5H5N5O/c6-5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H4,6,7,8,9,10,11)
InChIKey
NVDXOOZGKFFGDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-amino-6,7-dihydro-1H-purin-6-one
CAS: 45893-20-7
CID: 135421879
Formula: C5H5N5O
MW: 151.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.13
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass151.04940980
Monoisotopic Mass151.04940980
Topological Polar Surface Area96.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CUA89082-018,8''-Biskoenigine
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