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705209

Sigma-Aldrich

1-Methylxanthine-(methyl-13C,d3)

98 atom %, ≥97% (CP)

Synonym(s):

2,6-Dihydroxy-1-methylpurine-(methyl-13C, d3)

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About This Item

Empirical Formula (Hill Notation):
13CC5D3H3N4O2
CAS Number:
1202865-49-3
Molecular Weight:
170.15
MDL number:
MFCD11656100
UNSPSC Code:
12352108
PubChem Substance ID:
329762513
NACRES:
NA.24

isotopic purity

 13C
 D
98 atom %

Quality Level

200

Assay

≥97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

≥300 °C

mass shift

M+4

storage temp.

−20°C

SMILES string

[2H][13C]([2H])([2H])N1C(=O)Nc2nc[nH]c2C1=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)/i1+1D3

InChI key

MVOYJPOZRLFTCP-KQORAOOSSA-N

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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