Chemical Properties of 1-Butyltheobromine

1-Butyltheobromine

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InChI
InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
InChI Key
ZCUPBJOZMPROIJ-UHFFFAOYSA-N
Formula
C11H16N4O2
SMILES
CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Molecular Weight1
236.28
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Physical Properties

Property Value Unit Source
log10WS -1.62 Rytting...
logPoct/wat 0.234 Crippen Calculated Property
McVol 178.590 ml/mol McGowan Calculated Property

Similar Compounds

Pentifylline. Theobromine, n-propyl derivative. Paraxanthine, n-propyl derivative. Pentoxifylline. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl. 1-(6'-oxoheptyl)-3,7-dimethylxanthine. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. 7-Butyltheophylline. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl, TMS. 1-(5'-hydroxyhexyl)-3,7-dimethylxanthine, O-TFA. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TMS. Xanthine, 1-(5'-hydroxyhexyl)-3-methyl-7-propyl, TFA. 1-Ethyltheobromine.

Find more compounds similar to 1-Butyltheobromine.

Sources

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