Chemical Properties of Urea,] 1,1'-trimethylenebis[3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)- (CAS 96432-16-5)

Urea,] 1,1'-trimethylenebis[3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-

InChI
InChI=1S/C13H16N8O6/c22-8-6(4-16-12(26)20-8)18-10(24)14-2-1-3-15-11(25)19-7-5-17-13(27)21-9(7)23/h4-5H,1-3H2,(H2,14,18,24)(H2,15,19,25)(H2,16,20,22,26)(H2,17,21,23,27)
InChI Key
BFRBOINJWQGXAE-UHFFFAOYSA-N
Formula
C13H16N8O6
SMILES
OC(=NCCCN=C(O)Nc1cnc(O)nc1O)Nc1cnc(O)nc1O
Molecular Weight1
380.32
CAS
96432-16-5
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Physical Properties

Property Value Unit Source
ω 1.5660 Relay (1.0) Calculated Property
ΔfG° 60.91 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -870.38 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 272.69 kJ/mol Relay (1.0) Calculated Property
IE 8.70 eV Relay (1.0) Calculated Property
log10WS -4.43 Relay (1.0) Calculated Property
logPoct/wat -0.169 Crippen Calculated Property
McVol 252.970 ml/mol McGowan Calculated Property
Pc 7019.64 kPa Relay (1.0-beta) Calculated Property
Tboil 662.33 K Relay (1.0) Calculated Property
Tc 1308.31 K Relay (1.0) Calculated Property
Tfus 610.53 K Relay (1.0) Calculated Property
Vc 0.869 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Cytidine, dimethyl-TMS derivative. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether, benzyloxime (isomer 2). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether, benzyloxime (isomer 1). Oxymorphone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Tazettine. Benazepril Me. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Oxycodone. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Glyceollin III, TMS.

Find more compounds similar to Urea,] 1,1'-trimethylenebis[3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-.

Sources

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