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CAS No.: | 103321-57-9 |
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Name: | FMOC-L-PHENYLALANYL CHLORIDE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C24H20ClNO3 |
Molecular Weight: | 405.881 |
Synonyms: | Carbamicacid, [(1S)-2-chloro-2-oxo-1-(phenylmethyl)ethyl]-, 9H-fluoren-9-ylmethyl ester(9CI);Carbamic acid, [2-chloro-2-oxo-1-(phenylmethyl)ethyl]-,9H-fluoren-9-ylmethyl ester, (S)-;N-(9-Fluorenylmethoxycarbonyl)phenylalanylchloride;Fmoc-L-phenylalanyl chloride; |
Density: | 1.279 g/cm3 |
Melting Point: | 116-118℃ |
Boiling Point: | 596.205 °C at 760 mmHg |
Flash Point: | 314.374 °C |
PSA: | 55.40000 |
LogP: | 5.29270 |
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The systematic name of Carbamicacid, N-[(1S)-2-chloro-2-oxo-1-(phenylmethyl)ethyl]-, 9H-fluoren-9-ylmethylester is 9H-fluoren-9-ylmethyl [(1S)-1-benzyl-2-chloro-2-oxoethyl]carbamate. With the CAS registry number 103321-57-9, it is also named as Fmoc-L-phenylalanyl chloride. The product's category is Amino Acids. Besides, this chemical should be stored at 0 °C. In addition, its molecular formula is C24H20ClNO3 and its molecular weight is 405.87.
The other characteristics of Carbamicacid, N-[(1S)-2-chloro-2-oxo-1-(phenylmethyl)ethyl]-, 9H-fluoren-9-ylmethylester can be summarized as: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 31218; (6)ACD/BCF (pH 7.4): 31180; (7)ACD/KOC (pH 5.5): 57368; (8)ACD/KOC (pH 7.4): 57300; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 111.716 cm3; (15)Molar Volume: 317.306 cm3; (16)Polarizability: 44.287×10-24cm3; (17)Surface Tension: 52.956 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 314.374 °C; (20)Enthalpy of Vaporization: 88.83 kJ/mol; (21)Boiling Point: 596.205 °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: ClC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4
(2)InChI: InChI=1/C24H20ClNO3/c25-23(27)22(14-16-8-2-1-3-9-16)26-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,26,28)/t22-/m0/s1
(3)InChIKey: LRAXUKFFZHLNMX-QFIPXVFZBY
(4)Std. InChI: InChI=1S/C24H20ClNO3/c25-23(27)22(14-16-8-2-1-3-9-16)26-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,26,28)/t22-/m0/s1
(5)Std. InChIKey: LRAXUKFFZHLNMX-QFIPXVFZSA-N