Chemical Properties of 2-Pyridinecarbamic acid, 4-(allylamino)-6-amino-5-nitro-, ethyl ester (CAS 116659-54-2)

InChI

InChI=1S/C11H15N5O4/c1-3-5-13-7-6-8(15-11(17)20-4-2)14-10(12)9(7)16(18)19/h3,6H,1,4-5H2,2H3,(H4,12,13,14,15,17)

InChI Key

PCTZFFKVNHNSMK-UHFFFAOYSA-N

Formula

C11H15N5O4

SMILES

C=CCNc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-]

Molecular Weight¹

281.27

CAS

116659-54-2

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 2-Pyridinecarbamic acid, 4-(allylamino)-6-amino-5-nitro-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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