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MilliporeSigma

588598

Sigma-Aldrich

Caffeine-(3-methyl-13C)

99 atom % 13C

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About This Item

Empirical Formula (Hill Notation):
13CC7H10N4O2
CAS Number:
Molecular Weight:
195.18
MDL number:
UNSPSC Code:
12352202
PubChem Substance ID:

Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

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isotopic purity

99 atom % 13C

Quality Level

assay

99% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

mass shift

M+1

SMILES string

CN1C(=O)N([13CH3])c2ncn(C)c2C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i2+1

InChI key

RYYVLZVUVIJVGH-VQEHIDDOSA-N

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This Item
485365725625486604
technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

technique(s)

mass spectrometry (MS): suitable

assay

99% (CP)

assay

99% (CP)

assay

98% (CP)

assay

98% (CP)

isotopic purity

99 atom % 13C

isotopic purity

99 atom % 13C

isotopic purity

99 atom % D

isotopic purity

99 atom % 13C

mass shift

M+1

mass shift

M+3

mass shift

M+9

mass shift

M+1

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

form

solid

form

solid

form

powder

form

solid

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.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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