Chemical Properties of 1,3,7-Trimethylxanthine, TMS

1,3,7-Trimethylxanthine, TMS

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InChI
InChI=1S/C8H12N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4-6H,1-3H3
InChI Key
PKROKIUCEJBAQW-UHFFFAOYSA-N
Formula
C8H12N4O2
SMILES
CN1C(=O)C2C(N=CN2C)N(C)C1=O
Molecular Weight1
196.21
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Physical Properties

Property Value Unit Source
log10WS 0.42 Crippen Calculated Property
logPoct/wat -0.821 Crippen Calculated Property
McVol 140.620 ml/mol McGowan Calculated Property
Inp [1800.00; 1800.00]   Show Hide
Inp 1800.00 NIST
Inp 1800.00 NIST

Similar Compounds

1,3-Dimethylxanthine, TMS. Quinapril desethyl 3Me (Quinaprilate 3Me). 3-O,6-O,N-Triacetylnormorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Paclitaxel. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline.

Find more compounds similar to 1,3,7-Trimethylxanthine, TMS.

Sources

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