Molecular Structure of (2-Benzylisoindolin-4-yl)methanamine (CAS No.127169-00-0):

Molecular Formula: C₁₆H₁₈N₂
Molecular Weight: 238.3275
CAS No: 127169-00-0
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 29.26 Å²
Index of Refraction: 1.641
Molar Refractivity: 75 cm³
Molar Volume: 207.8 cm³
Surface Tension: 52.9 dyne/cm
Density: 1.146 g/cm³
Flash Point: 155.2 °C
Enthalpy of Vaporization: 60.45 kJ/mol
Boiling Point: 359 °C at 760 mmHg
Vapour Pressure: 2.45E-05 mmHg at 25°C
InChI: InChI=1/C₁₆H₁₈N₂/c17-9-14-7-4-8-15-11-18(12-16(14)15)10-13-5-2-1-3-6-13/h1-8H,9-12,17H2
InChIKey: UXAZXMXGESTEHL-UHFFFAOYAQ
Std. InChI: InChI=1S/C₁₆H₁₈N₂/c17-9-14-7-4-8-15-11-18(12-16(14)15)10-13-5-2-1-3-6-13/h1-8H,9-12,17H2
Std. InChIKey: UXAZXMXGESTEHL-UHFFFAOYSA-N
Product Categories: Chiral chemicals

  (2-Benzylisoindolin-4-yl)methanamine (CAS No.127169-00-0), its synonyms are 1-(2-Benzyl-2,3-dihydro-1H-isoindol-4-yl)methanamine ; 1H-isoindole-4-methanamine, 2,3-dihydro-2-(phenylmethyl)- ; N-BOC-(2-Benzylisoindolin-4-yl)methanamine .