05-0370
Caffeine
SAJ special grade, ≥98.5%
Synonym(s):
1,3,7-Trimethylxanthine
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About This Item
Empirical Formula (Hill Notation):
C8H10N4O2
CAS Number:
Molecular Weight:
194.19
EC Number:
200-362-1
UNSPSC Code:
12352005
PubChem Substance ID:
Beilstein/REAXYS Number:
17705
MDL number:
grade
SAJ special grade
assay
≥98.5%
form
crystalline, powder
availability
available only in Japan
mp
234-236.5 °C (lit.)
solubility
H2O: soluble 18.7 g/L at 16 °C
SMILES string
CN1C(=O)N(C)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
InChI key
RYYVLZVUVIJVGH-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142)
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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