Hypoxanthine-13C2,15N

CAT: 0024-sc-280810Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280810Size:1 mg

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CAS Number

1330265-04-7

Chemical Information

Hypoxanthine-13C2,15N

See also: Hypoxanthine (annotation moved to).

CAS Number	1330265-04-7
PubChem CID	136242402
IUPAC Name	1,7-dihydropurin-6-one
Molecular Formula	C5H4N4O
Molecular Weight	139.09
XLogP	-0.5
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	190

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

CAS: 1330265-04-7

CID: 136242402

Formula: C5H4N4O

MW: 139.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.09
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	139.04225533
Monoisotopic Mass	139.04225533
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	190
Isotope Atom Count	3
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

Catalog	Name
HY-N0091S3	Hypoxanthine-13C2,15N
HY-N0091S4-01	Hypoxanthine-13C2,15N-1
TRC-H998503-10MG	Hypoxanthine-13C2,15N (Mixture)
TRC-H998503-1MG	Hypoxanthine-13C2,15N (Mixture) Please see H998504
AR-A01930-01	5-Aminolevulinic-13C2-15N Acid (ALA-13C2-15N)
HEC00299	Amoxicillin-13C2,15N
CS-T-103990	Ixabepilone-13C2,15N
CS-T-94305	Acetamide-13C2,15N
HY-B0084S3	Dienogest-13C2,15N
HY-14164S1	Zileuton-13C2,15N