Melamine-13C3,15N3

CAT: 1299-RG-A262620-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262620-01Size:10 mg

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CAS Number

1246816-14-7

Synonyms

1,3,5-triazine-2,4,6-13C3-2,4,6-triamine-15N3

Molecular Formula

13C3H6N315N3

Molecular Weight

132.08

Target Alternative Name

Melamine

Product Name Synonym

1,3,5-triazine-2,4,6-13C3-2,4,6-triamine-15N3

Chemical Information

Melamine-13C3,15N3

See also: Melamine (annotation moved to).

CAS Number	1246816-14-7
PubChem CID	71749940
IUPAC Name	(2,4,6-13C3)1,3,5-triazine-2,4,6-tri(15N3)amine
Molecular Formula	C3H6N6
Molecular Weight	132.079
XLogP	-1.4
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	63

SMILES

[13C]1(=N[13C](=N[13C](=N1)[15NH2])[15NH2])[15NH2]

InChI

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

JDSHMPZPIAZGSV-IDEBNGHGSA-N

Chemical Structure

2D Structure

CAS: 1246816-14-7

CID: 71749940

Formula: C3H6N6

MW: 132.079

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.079
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	132.06656340
Monoisotopic Mass	132.06656340
Topological Polar Surface Area	117 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	63.3
Isotope Atom Count	6
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