Product Name

  • Name

    BOC-(R)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID

  • EINECS
  • CAS No. 479064-94-3
  • Density 1.214 g/cm3
  • Solubility
  • Melting Point 100-102°C(lit.)
  • Formula C14H18FNO4
  • Boiling Point 424.5 °C at 760 mmHg
  • Molecular Weight 283.30
  • Flash Point 210.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 479064-94-3 (BOC-(R)-3-AMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID)
  • Hazard Symbols
  • Synonyms BOC-PHG(4-F)-(C*CH2)OH; RARECHEM DK TC T330; Boc--R-4-Fluorophenylalanine; (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid; Boc-D-b-Phe(4-F)-OH; Boc-(R)-3-Amino-3-(4-fluorophenyl)propionic acid; 查看更多英文别名 收起
  • PSA 75.63000
  • LogP 3.25710

(3R)-3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid Specification

This chemical is called (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid, and its CAS registry number is 479064-94-3. With the molecular formula of C14H18FNO4, its molecular weight is 283.30. Additionally, its product categories are 3-Amino-3-phenylpropionic Acid Analogs; B-Amino.

Other characteristics of the (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)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-/m1/s1
3.InChIKey: WRVBNEFIXONNFA-LLVKDONJBJ

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