CAS No.479064-88-5,BOC-(S)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	479064-88-5
Name:	BOC-(S)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID

Formula:	C₁₄H₁₈FNO₄
Molecular Weight:	283.3
Synonyms:	(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoicacid;
Density:	1.215 g/cm³
Boiling Point:	424.5 °C at 760 mmHg
Flash Point:	210.5 °C
PSA:	75.63000
LogP:	3.25710

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Specification

This chemical is called (3S)-3-(4-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid, and its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid. With the molecular formula of C₁₄H₁₈FNO₄, its molecular weight is 283.30. The CAS registry number of this chemical is 479064-88-5. Additionally, its product categories are 3-Amino-3-phenylpropionic Acid Analogs; B-Amino.

Other characteristics of the (3S)-3-(4-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid can be summarised as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 3.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.79; (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: 55.84 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 70.49 cm³; (15)Molar Volume: 233.2 cm³; (16)Polarizability: 27.94×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 210.5 °C; (20)Enthalpy of Vaporization: 71.58 kJ/mol; (21)Boiling Point: 424.5 °C at 760 mmHg; (22)Vapour Pressure: 5.8E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
2.InChI: InChI=1/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
3.InChIKey: WRVBNEFIXONNFA-NSHDSACABA