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CAS No. 57292-45-2 Density
Solubility Melting Point 83-86°C
Formula C14H18FNO4 Boiling Point 431.2 °C at 760 mmHg
Molecular Weight 283.30 Flash Point 214.6 °C
Transport Information Appearance white to light yellow crystal powder
Safety 37/39-26-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 57292-45-2 (D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-) Hazard Symbols IrritantXi



Boc-4-fluoro-D-phenylalanine Specification

The Boc-D-4-Fluorophenylalanine, with the CAS registry number 57292-45-2, has the systematic name of (2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoate. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Chiral Reagent; Phenylalanine [Phe, F]; Unusual Amino Acids; α-amino. And the molecular formula of this chemical is C14H18FNO4.

The physical properties of Boc-D-4-Fluorophenylalanine are as following: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.84 Å2; (13)Flash Point: 214.6 °C; (14)Enthalpy of Vaporization: 72.39 kJ/mol; (15)Boiling Point: 431.2 °C at 760 mmHg; (16)Vapour Pressure: 3.36E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@H](C([O-])=O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/p-1/t11-/m1/s1

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