Name: FMOC-L-PHENYLALANYL CHLORIDE
SKU: 103321-57-9

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Basic Information

Molecular Structure:
CAS No.:	103321-57-9
Name:	FMOC-L-PHENYLALANYL CHLORIDE
Article Data:	21

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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Specification

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