Molecular Structure of cis-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid (CAS No.701234-65-3):
 
Molecular Formula: C₂₂H₂₆N₄O₃ 
Molecular Weight: 394.47
CAS No: 701234-65-3
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 110.69 Å²
Index of Refraction: 1.673
Molar Refractivity: 108.07 cm³
Molar Volume: 288 cm³
Surface Tension: 54.1 dyne/cm
Density: 1.36 g/cm³
Flash Point: 326.7 °C
Enthalpy of Vaporization: 96.15 kJ/mol
Boiling Point: 616.6 °C at 760 mmHg
Vapour Pressure: 4.62E-16 mmHg at 25°C
InChI: InChI=1/C₂₂H₂₆N₄O₃/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
InChIKey: FUIYMYNYUHVDPT-HDJSIYSDBR
Std. InChI: InChI=1S/C₂₂H₂₆N₄O₃/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
Std. InChIKey: FUIYMYNYUHVDPT-HDJSIYSDSA-N
InChI: InChI=1/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
InChIKey: FUIYMYNYUHVDPT-HDJSIYSDBR
Std. InChI: InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
Std. InChIKey: FUIYMYNYUHVDPT-HDJSIYSDSA-N

   cis-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid (CAS No.701234-65-3), its synonyms are {trans-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid ; 2-((1r,4r)-4-(4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl)cyclohexyl)acetic acid ; Cyclohexaneacetic acid, 4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]-, trans-  .