Chemical Properties of 2,6-Pyridinedicarbamic acid, 4-chloro-, dibenzyl ester

2,6-Pyridinedicarbamic acid, 4-chloro-, dibenzyl ester

InChI
InChI=1S/C21H18ClN3O4/c22-17-11-18(24-20(26)28-13-15-7-3-1-4-8-15)23-19(12-17)25-21(27)29-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,23,24,25,26,27)
InChI Key
JLBWTVWMYOEKTK-UHFFFAOYSA-N
Formula
C21H18ClN3O4
SMILES
O=C(Nc1cc(Cl)cc(NC(=O)OCc2ccccc2)n1)OCc1ccccc1
Molecular Weight1
411.84
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Physical Properties

Property Value Unit Source
ω 0.9647 Relay (1.0) Calculated Property
ΔfG° 57.50 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -431.09 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 154.49 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -6.17 Relay (1.0) Calculated Property
logPoct/wat 5.232 Crippen Calculated Property
McVol 292.530 ml/mol McGowan Calculated Property
Pc 2767.52 kPa Relay (1.0-beta) Calculated Property
Tboil 704.76 K Relay (1.0) Calculated Property
Tc 1108.55 K Relay (1.0) Calculated Property
Tfus 425.58 K Relay (1.0) Calculated Property
Vc 1.048 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS. Piroxicam. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. DILTIAZEM, M(DESAMINO-HO-), AC. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. Diltiazem. DILTIAZEM, M(ODESMETHYL-), AC. SCHEMBL9488362. Isooctylhydrocupreine. 2-Piperidinomethyl-8(ar)-methoxy-tetrahydro-1-acenaphthone. trans-Anthracene, 1,2-dihydro-1,2-diol, bis-TMS. N-Methyl-2,3-dihydroxymorphinan. 2-Pyridinecarbamic acid, 6-amino-4-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-5-nitro-, ethyl ester. Pentazocine TMS derivative. Pentazocine, trimethylsilyl ether.

Find more compounds similar to 2,6-Pyridinedicarbamic acid, 4-chloro-, dibenzyl ester.

Sources

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