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705195

Sigma-Aldrich

1-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3

≥98 atom %, ≥98% (CP)

Synonym(s):

2,6-Dihydroxy-1-methylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)

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About This Item

Empirical Formula (Hill Notation):
13C4C2H615N3NO2
CAS Number:
1173018-69-3
Molecular Weight:
173.09
UNSPSC Code:
12352005
PubChem Substance ID:
329762512
NACRES:
NA.24

isotopic purity

≥98 atom %

Assay

≥98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

≥300 °C

mass shift

M+7

storage temp.

−20°C

SMILES string

C[15N]1[13C](=O)[15NH][13c]2[15nH]cn[13c]2[13C]1=O

InChI

1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1

InChI key

MVOYJPOZRLFTCP-UDDVCBLJSA-N

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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