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Hypoxanthine-13C2,15N

CAT: 0572-TRC-H998504-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H998504-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330265-04-7
Synonyms
Hypoxanthine-4,5-13C2-7-15N; 1,9-Dihydro-6H-purin-6-one-4,5-13C2-7-15N; 1,9-Dihydro-purin-6-one-4,5-13C2-7-15N; 1H,7H-Hypoxanthine-4,5-13C2-7-15N; 1H,9H-Hypoxanthine-4,5-13C2-7-15N; 1,7-Dihydro-6H-purin-6-one-4,5-13C2-7-15N; Hypoxanthine-13C2,15N
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C1N=CN[13c]2[nH]c[15n][13c]12
Molecular Formula
13C2 C3 H4 15N N3 O
Molecular Weight
139.09
InChI
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)/i3+1,4+1,6+1
Additionnal Information
IUPAC name: 3,9-dihydropurin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hypoxanthine-13C2,15N

See also: Hypoxanthine (annotation moved to).

CAS Number1330265-04-7
PubChem CID136242402
IUPAC Name1,7-dihydropurin-6-one
Molecular FormulaC5H4N4O
Molecular Weight139.09
XLogP-0.5
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity190
SMILES
C1=N[13C]2=[13C](C(=O)N1)[15NH]C=N2
InChI
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)/i3+1,4+1,6+1
InChIKey
FDGQSTZJBFJUBT-JYLXJXPXSA-N
Chemical Structure
2D Structure
2D structure of Hypoxanthine-13C2,15N
CAS: 1330265-04-7
CID: 136242402
Formula: C5H4N4O
MW: 139.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.09
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass139.04225533
Monoisotopic Mass139.04225533
Topological Polar Surface Area70.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity190
Isotope Atom Count3
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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