Product Code

TRC-C080101

CAS Number

78072-66-9

Product Format

Neat

Molecular Formula

*C3C5H10N4O2

Molecular Weight

197.17

API Family

Caffeine

Product Categories

TRC, Neurology Research Chemicals and Analytical Standards, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Impurity Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials

Product Type

Stable Isotope Labelled, Synthesis Tools

Unlabelled CAS Number

58-08-2

Purity

>95% (HPLC)

Drug Type

Antiasthmatics

Price and availability

48-hour USA dispatch time

Freight restricted.

If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

Caffeine-13C3

CAS Number

78072-66-9

Molecular Formula

*C3C5H10N4O2

Molecular Weight

197.17

Accurate Mass

197.0904

SMILES

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

InChI

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

IUPAC

1,3,7-tri((1^{13}C)methyl)purine-2,6-dione

Unlabelled CAS Number

58-08-2

SIL Type

Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Caffeine

Purity

>95% (HPLC)

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Caffeine-13C3

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