Ammelide -13C3

CAT: 0024-sc-217632Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-217632Size:1 mg

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CAS Number

1173021-81-2

Chemical Information

6-Amino(~13~C_3_)-1,3,5-triazine-2,4(1H,3H)-dione

CAS Number	1173021-81-2
PubChem CID	46780371
IUPAC Name	6-amino-(2,4,6-13C3)1H-1,3,5-triazine-2,4-dione
Molecular Formula	C3H4N4O2
Molecular Weight	131.07
XLogP	-1.5
Topological Polar Surface Area	96.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	196

SMILES

[13C]1(=N[13C](=O)N[13C](=O)N1)N

InChI

InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)/i1+1,2+1,3+1

InChIKey

YSKUZVBSHIWEFK-VMIGTVKRSA-N

Chemical Structure

2D Structure

CAS: 1173021-81-2

CID: 46780371

Formula: C3H4N4O2

MW: 131.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.07
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	131.04348989
Monoisotopic Mass	131.04348989
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	196
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