Molecular Structure of (S)-N4-Benzyl-2-isobutylpiperazine (CAS No.444892-03-9):
 
Molecular Formula: C₁₅H₂₄N₂ 
Molecular Weight: 232.3645
CAS No: 444892-03-9
IUPAC Name: (3S)-1-benzyl-3-(2-methylpropyl)piperazine 
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 15.27 Å²
Index of Refraction: 1.513
Molar Refractivity: 73.07 cm³
Molar Volume: 242.8 cm³
Surface Tension: 33.7 dyne/cm
Density: 0.956 g/cm³
Flash Point: 114.8 °C
Enthalpy of Vaporization: 56.84 kJ/mol
Boiling Point: 326.2 °C at 760 mmHg
Vapour Pressure: 0.000219 mmHg at 25°C
InChI: InChI=1/C₁₅H₂₄N₂/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
InChIKey: HQMROSCVRBNRRZ-HNNXBMFYBX
Std. InChI: InChI=1S/C₁₅H₂₄N₂/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
Std. InChIKey: HQMROSCVRBNRRZ-HNNXBMFYSA-N
Product Categories: pharmacetical

Hazard Codes: Xi

   (S)-N4-Benzyl-2-isobutylpiperazine (CAS No.444892-03-9), its synonyms are (3S)-1-benzyl-3-(2-methylpropyl)piperazine ; (3S)-1-Benzyl-3-isobutylpiperazine ; Piperazine, 3-(2-methylpropyl)-1-(phenylmethyl)-, (3S)- ; (S)-1-Benzyl-3-isobutyl-piperazine ; 1-Benzyl-3(R)-isobutyl-piperazine .