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Boc-2-chloro-D-phenylalanine

  • Name Boc-2-chloro-D-phenylalanine
  • EINECSN/A
  • CAS No. 80102-23-4
  • Density1.245 g/cm3
  • PSA75.63000
  • LogP3.25130
  • SolubilityN/A
  • Melting Point94-98 °C
  • FormulaC14H18ClNO4
  • Boiling Point452.5 °C at 760 mmHg
  • Molecular Weight299.754
  • Flash Point227.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 80102-23-4 (BOC-D-2-Chlorophe)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data2

Boc-2-chloro-D-phenylalanine Specification

The D-Phenylalanine,2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 80102-23-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide; (4)A-amino. It has the systematic name of N-(tert-butoxycarbonyl)-2-chloro-L-phenylalanine. This chemical should be stored at the temperature of  0°C.

Physical properties of D-Phenylalanine,2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.63; (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: 1.538; (14)Molar Refractivity: 75.35 cm3; (15)Molar Volume: 240.5 cm3; (16)Polarizability: 29.87×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Enthalpy of Vaporization: 75 kJ/mol; (19)Vapour Pressure: 5.61E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: TUUQJNHCVFJMPU-NSHDSACABF
(4)Std. InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: TUUQJNHCVFJMPU-NSHDSACASA-N

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