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Name:
Theobromine
CAS No.:
83-67-0
Molecular formula:
C₇H₈N₄O₂
Molecular weight:
180.16
InChIKey:
YAPQBXQYLJRXSA-UHFFFAOYSA-N
InChI:
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Pubchem ID:
Dangerous goods sign:
Xn
HsCode:
2933990090
WGK Germany:
1
DangerCode:
R22
SafetyInstructions:
S22-S24/25