Protheobromine structure

Protheobromine

1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione

CAS: 50-39-5
Molecular Formula C10H14N4O3
Molecular Weight 238.24 g/mol
LogP -0.3
Topological Polar Surface Area 78.7 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 238.1066
Heavy Atoms 17
Complexity 348.0

Chemical Identifiers

CAS Number 50-39-5
SMILES CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChIKey MXRGZXBFSKSZPH-UHFFFAOYSA-N

📖 Product Overview

Protheobromine (CAS: 50-39-5) is a chemical compound with molecular formula C10H14N4O3 and molecular weight 238.24 g/mol. Its IUPAC systematic name is 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione. LogP -0.3 Topological Polar Surface Area 78.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 238.1066 Heavy Atoms 17 Complexity 348.0 InChI Key: MXRGZXBFSKSZPH-UHFFFAOYSA-N. SMILES: CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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