Barbituric Acid-13C,15N2

CAT: 0572-TRC-B118652-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B118652-10MGSize:10 mg

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CAS Number

1329809-18-8

Synonyms

2,4,6(1H,3H,5H)-Pyrimidinetrione-13C,15N2; 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione-13C,15N2; 2,4,6-Pyrimidinetriol-13C,15N2; 2,4,6-Pyrimidinetrione-13C,15N2; 2,4,6-Trihydroxypyrimidine-13C,15N2; 2,4,6-Trioxohexahydropyrimidine-13C,15N2; 6-Hydroxyuracil-13C,15N2; Hexahydropyrimidine-2,4,6-trione-13C,15N2; Malonylurea-13C,15N2; NSC 7889-13C,15N2;

Hazard Statement

No Data Available

Smiles

O=[13C]1[15NH]C(=O)CC(=O)[15NH]1

Molecular Formula

C313CH415N2O3

Molecular Weight

131.07

Shipping Conditions

Room Temperature

Chemical Information

Barbituric Acid-13C,15N2

CAS Number	1329809-18-8
PubChem CID	71313619
IUPAC Name	(213C,1,3-15N2)1,3-diazinane-2,4,6-trione
Molecular Formula	C4H4N2O3
Molecular Weight	131.07
XLogP	-1.5
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	168

SMILES

C1C(=O)[15NH][13C](=O)[15NH]C1=O

InChI

InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)/i4+1,5+1,6+1

InChIKey

HNYOPLTXPVRDBG-VMGGCIAMSA-N

Chemical Structure

2D Structure

CAS: 1329809-18-8

CID: 71313619

Formula: C4H4N2O3

MW: 131.07

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	131.07
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	131.01961662
Monoisotopic Mass	131.01961662
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	168
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

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Barbituric Acid-13C,15N2

Chemical Information

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