L-Phenylalanine,4-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- (95753-56-3)

The systematic name of Fmoc-4-Amino-L-phenylalanine is 4-amino-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine. With the CAS registry number 95753-56-3, it is also named as (S)-N-(9-Fluorenylmethyloxycarbonyl)-4-aminophenylalanine. The product's categories are Phenylalanine [Phe, F]; Unusual Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C₂₄H₂₂N₂O₄ and its molecular weight is 402.44. Besides, this chemical should be stored at -15 °C.

The other characteristics of Fmoc-4-Amino-L-phenylalanine can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 7.14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37.13; (8)ACD/KOC (pH 7.4): 1.29; (9)H bond acceptors: 6; (10)H bond donors: 4; (11)Freely Rotating Bonds: 8; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 112.63 cm³; (15)Molar Volume: 305.7 cm³; (16)Polarizability: 44.65×10^-24cm³; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.316 g/cm³; (19)Flash Point: 359.9 °C; (20)Enthalpy of Vaporization: 103.64 kJ/mol; (21)Boiling Point: 671.5 °C at 760 mmHg; (22)Vapour Pressure: 5.97E-19 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(N)cc4
(2)InChI:InChI=1/C24H22N2O4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
(3)InChIKey:VALNSJHHRPSUDO-QFIPXVFZBH
(4)Std. InChI:InChI=1S/C24H22N2O4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14,25H2,(H,26,29)(H,27,28)/t22-/m0/s1
(5)Std. InChIKey:VALNSJHHRPSUDO-QFIPXVFZSA-N