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280984

1-Methylxanthine

98%

Synonym(s):

2,6-Dihydroxy-1-methylpurine

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About This Item

Empirical Formula (Hill Notation):
C6H6N4O2
CAS Number:
6136-37-4
Molecular Weight:
166.14
EC Number:
228-108-5
UNSPSC Code:
12352200
PubChem Substance ID:
329753042
Beilstein/REAXYS Number:
171507
MDL number:
MFCD00005561
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assay

98%

mp

≥300 °C

SMILES string

CN1C(=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)

InChI key

MVOYJPOZRLFTCP-UHFFFAOYSA-N

Features and Benefits

Caffeine metabolite.

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

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