Molecular Structure of Picrinine (CAS No.4684-32-6):
 
Molecular Formula: C₂₀H₂₂N₂O₃ 
Molecular Weight: 338.4003
CAS No: 4684-32-6
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 50.8 Å²
Index of Refraction: 1.677
Molar Refractivity: 92.104 cm³
Molar Volume: 244.476 cm³
Surface Tension: 61.309 dyne/cm
Density: 1.384 g/cm³
Flash Point: 256.864 °C
Enthalpy of Vaporization: 76.986 kJ/mol
Boiling Point: 501.114 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C₂₀H₂₂N₂O₃/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1
InChIKey: BDXYPHKGNUGUFG-VETGLWQVBF
Std. InChI: InChI=1S/C₂₀H₂₂N₂O₃/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1
Std. InChIKey: BDXYPHKGNUGUFG-VETGLWQVSA-N

  Picrinine (CAS No.4684-32-6), its synonyms are 2α,5α-Epoxy-1,2-dihydroakuammilan-17-oic acid methyl ester ; 2H,12H-6,12A-Epoxy-2,7A-methanoindolo[2,3-A]quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12B-hexahydro-, methyl ester, (2S,3E,6S,12ar,12bs)- .