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Theobromine

Predict NMR spectrum
RN: 
83-67-0
MF: 
C7H8N4O2
MW: 
180.16612
mp (°C): 
290  - 295
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)
InChIKey:  YAPQBXQYLJRXSA-UHFFFAOYSA-N
H donor:  1
H acceptor:  6
Rotatable bond:  0
Stereocenter:  0
cLogP:  -0.516
cLogS:  -1.506
Polar surface:  67.23
NEW: 3D model: 
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  Supplier     Description     Reference  
advtechind theobromine, ep standard
100MG
advtechind theobromine bp2002
975G
advtechind cocoa dry extract with, 10% theobromine
1000KG
aifchem
, 99.74%
500g
amadischem Theobromine, 98%
Bulk, semi-bulk
alfa-chemistry
, 98%
1g
5g
10g
25g
100g
250g
leapchem theobromine
on request
leapchem theobromine
on request
capotchem Theobromine, 98% (Min,HPLC)
on request
cm-finechemicals Theobromine
Research
Pilot
bocsci Theobromine, >98%
newcanbio Theobromine
lingruichem Theobromine
on request
lingruichem Theobromine
on request
lingruichem Theobromine
on request
oakwood
Theobromine
, 98%
1g
5g
25g
100g
manchesterorganics
2,6-Dihydroxy-3,7-dimethyl-purine
, 95%
qcsrm Caffeine EP Impurity D; Pentoxifylline EP Impurity A; Theobromine
rosewachem TheobroMine
on request
biosynth
Theobromine
on request

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