b-Alanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methoxy- (247021-90-5)

The systematic name of Weinreb Linker is N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methoxy-beta-alanine. With the CAS registry number 247021-90-5, it is also named as N-Fmoc-N-Methoxy-3-aminopropionic acid. The product's category is Fmoc-Amino acid series. And it should be stored at 0-6 °C.In addition, its molecular formula is C₁₉H₁₉NO₅ and its molecular weight is 341.36.

The other characteristics of Weinreb Linker can be summarized as: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 167; (8)ACD/KOC (pH 7.4): 3; (9)H bond acceptors: 6; (10)H bond donors: 1; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 76.07 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 90.46 cm³; (15)Molar Volume: 263.655 cm³; (16)Polarizability: 35.861×10^-24cm³; (17)Surface Tension: 56.205 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 281.579 °C; (20)Enthalpy of Vaporization: 86.299 kJ/mol; (21)Boiling Point: 541.979 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)CCN(OC)C(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI:InChI=1/C19H19NO5/c1-24-20(11-10-18(21)22)19(23)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,21,22)
(3)InChIKey:ROUNCJXPHYHPTH-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C19H19NO5/c1-24-20(11-10-18(21)22)19(23)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,21,22)
(5)Std. InChIKey:ROUNCJXPHYHPTH-UHFFFAOYSA-N