L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester (61040-20-8)

The 3-Amino-N-Boc-L-alanine methyl ester with the cas number 61040-20-8 is also called L-Alanine,3-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester. The systematic name is methyl 3-amino-N-(tert-butoxycarbonyl)-L-alaninate. Its molecular formula is C₉H₁₈N₂O₄. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 90.65 Å²; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 54.349 cm³; (9)Molar Volume: 196.979 cm³; (10)Polarizability: 21.546×10^-24cm³; (11)Surface Tension: 38.027 dyne/cm; (12)Enthalpy of Vaporization: 58.095 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC)CN
(2)InChI: InChI=1/C9H18N2O4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
(3)InChIKey: HNGRJOCEIWGCTB-LURJTMIEBM