(R)-2-amino-N-benzyl-3-methoxypropanamide (196601-69-1)

The (R)-2-amino-N-benzyl-3-methoxypropanamide, with the cas registry number 196601-69-1, has the systematic name of N-benzyl-O-methyl-D-serinamide and IUPAC name of 2-amino-N-benzyl-3-methoxypropanamide. This is a kind of white to off-white crystalline powder and this chemica is usually applied as the organic intermediate.

The characteristics of this chemical are as follows: (1)ACD/LogP: 0.86; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 12; (6)ACD/KOC (pH 7.4): 55; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 64.35; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 58.564 cm³; (13)Molar Volume: 188.123 cm³; (14)Polarizability: 23.217×10^-24 cm³; (15)Surface Tension: 43.213 dyne/cm; (16)Density: 1.107 g/cm³; (17)Flash Point: 208.986 °C; (18)Enthalpy of Vaporization: 67.604 kJ/mol; (19)Boiling Point: 421.947 °C at 760 mmHg; (20)Exact Mass: 208.121178; (21)MonoIsotopic Mass: 208.121178; (22)Topological Polar Surface Area: 64.4; (23)Heavy Atom Count: 15; (24)Formal Charge: 0; (25)Complexity: 191.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(NCc1ccccc1)[C@H](N)CO
(2)InChI:InChI=1/C11H16N2O2/c1-15-8-10(12)11(14)13-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m1/s1
(3)InChIKey:WPLANNRKFDHEKD-SNVBAGLBBS