C8960
Caffeine
BioXtra
Synonym(s):
1,3,7-Trimethylxanthine
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About This Item
product line
BioXtra
Quality Level
form
powder
impurities
≤0.0005% Phosphorus (P), ≤0.1% Insoluble matter
ign. residue
≤0.1%
mp
234-236.5 °C (lit.)
solubility
chloroform: 0.5 M, clear, colorless
anion traces
chloride (Cl-): ≤0.05%, sulfate (SO42-): ≤0.05%
cation traces
Al: ≤0.0005%, Ca: ≤0.001%, Cu: ≤0.0005%, Fe: ≤0.0005%, K: ≤0.005%, Mg: ≤0.001%, NH4+: ≤0.05%, Na: ≤0.005%, Pb: ≤0.001%, Zn: ≤0.0005%
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)
mouse ... Adora2b(11541)
rat ... Adora1(29290), Adora2a(25369)
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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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