Product Name

  • Name

    (R)-N-Fmoc-3-Bromophenylalanine

  • EINECS
  • CAS No. 220497-81-4
  • Density 1.459 g/cm3
  • Solubility
  • Melting Point 145.9 °C
  • Formula C24H20BrNO4
  • Boiling Point 660.8 °C at 760 mmHg
  • Molecular Weight 466.331
  • Flash Point 353.4 °C
  • Transport Information
  • Appearance white crystalline powder
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 220497-81-4 ((R)-N-Fmoc-3-Bromophenylalanine)
  • Hazard Symbols
  • Synonyms (R)-N-Fmoc-3-Bromophenylalanine
  • PSA 75.63000
  • LogP 5.37440

(R)-N-Fmoc-3-Bromophenylalanine Specification

The D-Phenylalanine,3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, with CAS registry number 220497-81-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)A-amino. It has the systematic name of 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine. This chemical is a kind of white crystalline powder. And it is should be stored at the temperature of 0°C.

Physical properties of D-Phenylalanine,3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 180.42; (6)ACD/BCF (pH 7.4): 7.41; (7)ACD/KOC (pH 5.5): 338.04; (8)ACD/KOC (pH 7.4): 13.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 116.09 cm3; (15)Molar Volume: 319.6 cm3; (16)Polarizability: 46.02×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Enthalpy of Vaporization: 102.16 kJ/mol; (19)Vapour Pressure: 2.31E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(c1)C[C@H](C(=O)O)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H20BrNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(3)InChIKey: CALGTIKYXVBTAO-JOCHJYFZBB
(4)Std. InChI: InChI=1S/C24H20BrNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
(5)Std. InChIKey: CALGTIKYXVBTAO-JOCHJYFZSA-N

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