Molecular Structure of Boc-(S)-3-Amino-4-(3-methylphenyl)butyric acid (CAS No.270062-93-6):
 
Molecular Formula: C₁₆H₂₃NO₄
Molecular Weight: 293.3581
CAS No: 270062-93-6
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 55.84 Å²
Index of Refraction: 1.523
Molar Refractivity: 79.91 cm³
Molar Volume: 261.4 cm³
Surface Tension: 42.3 dyne/cm
Density: 1.122 g/cm³
Flash Point: 230.7 °C
Enthalpy of Vaporization: 75.67 kJ/mol
Boiling Point: 457.9 °C at 760 mmHg
Vapour Pressure: 3.54E-09 mmHg at 25°C
InChI: InChI=1/C₁₆H₂₃NO₄/c1-11-6-5-7-12(8-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey: JTZSMOJWZPUZGN-ZDUSSCGKBK
Std. InChI: InChI=1S/C₁₆H₂₃NO₄/c1-11-6-5-7-12(8-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
Std. InChIKey: JTZSMOJWZPUZGN-ZDUSSCGKSA-N
Systematic Name: (3S)-3-[(Tert-butoxycarbonyl)amino]-4-(3-methylphenyl)butanoic acid 
Product Categories: 3-Amino-4-phenylbutanoic Acid Analogs;B-Amino

HazardClass: IRRITANT

   Boc-(S)-3-Amino-4-(3-methylphenyl)butyric acid (CAS No.270062-93-6), its synonym is (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(3-methylphenyl)butyric acid .