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About This Item
Empirical Formula (Hill Notation):
C7H10N4O3
CAS Number:
Molecular Weight:
198.18
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12161501
MDL number:
Form:
solid
form
solid
color
white to light pink
mp
≥305 °C
storage temp.
2-8°C
SMILES string
CN1C(=O)NC(N)=C(NC(C)=O)C1=O
InChI
1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)
InChI key
POQOTWQIYYNXAT-UHFFFAOYSA-N
Application
CYP1A2 metabolite of caffeine
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
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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