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588598

Sigma-Aldrich

Caffeine-(3-methyl-13C)

99 atom % 13C

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About This Item

Empirical Formula (Hill Notation):
13CC7H10N4O2
CAS Number:
202282-98-2
Molecular Weight:
195.18
MDL number:
MFCD00143898
UNSPSC Code:
12352202
PubChem Substance ID:
329758503

isotopic purity

99 atom % 13C

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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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
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC6806
MBBB6104V
MBBB2289V
TV1367
TV0997

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