Chemical Properties of Ethyl 6-amino-4-chloro-5-nitro-2-pyridinyl(benzyl)carbamate (CAS 116403-17-9)

Ethyl 6-amino-4-chloro-5-nitro-2-pyridinyl(benzyl)carbamate

InChI
InChI=1S/C15H15ClN4O4/c1-2-24-15(21)19(9-10-6-4-3-5-7-10)12-8-11(16)13(20(22)23)14(17)18-12/h3-8H,2,9H2,1H3,(H2,17,18)
InChI Key
QGRAZLLKGHWNAH-UHFFFAOYSA-N
Formula
C15H15ClN4O4
SMILES
CCOC(=O)N(Cc1ccccc1)c1cc(Cl)c([N+](=O)[O-])c(N)n1
Molecular Weight1
350.76
CAS
116403-17-9
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Physical Properties

Property Value Unit Source
ω 0.8974 Relay (1.0) Calculated Property
ΔfG° 250.14 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -196.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 112.53 kJ/mol Relay (1.0) Calculated Property
IE 8.19 eV Relay (1.0) Calculated Property
log10WS -5.20 Relay (1.0) Calculated Property
logPoct/wat 3.389 Crippen Calculated Property
McVol 241.730 ml/mol McGowan Calculated Property
Pc 1862.07 kPa Relay (1.0-beta) Calculated Property
Tboil 670.61 K Relay (1.0) Calculated Property
Tc 1008.49 K Relay (1.0) Calculated Property
Tfus 393.17 K Relay (1.0) Calculated Property
Vc 0.850 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Methyldihydromorphine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Dihydromorphinone acetate. risperidone. Hydrocodone. Moexipril Me. Hydromorphone. Acetyldihydrocodeine. Dihydromorphine. Moexipril desethyl 3Me (Moexprilate 3Me). 3'-dihydrocinnamoylindicine. Heptafluorobutyryl-codeine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. QUINIDINE, M(HO-), AC.

Find more compounds similar to Ethyl 6-amino-4-chloro-5-nitro-2-pyridinyl(benzyl)carbamate.

Sources

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