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  • Name Boc-L-homoPhenylalanine
  • CAS No. 100564-78-1
  • Density1.139 g/cm3
  • PSA75.63000
  • LogP2.98800
  • SolubilityN/A
  • Melting Point76-80 °C
  • FormulaC15H21NO4
  • Boiling Point439.6 °C at 760 mmHg
  • Molecular Weight279.336
  • Flash Point219.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety22-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 100564-78-1 (Boc-L-homophenylalanine)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data24

Boc-L-homoPhenylalanine Specification

The Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)-, with the CAS registry number 100564-78-1, is also known as (S)-2-(Boc-amino)-4-phenylbutyric acid. It belongs to the product categories of Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Protected Amino Acid & Peptides; Amino Acids. This chemical's molecular formula is C15H21NO4 and molecular weight is 279.34. What's more, its systematic name is (2S)-2-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid. You should not breathe dust. When using it, you must avoid contact with eyes. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.97; (8)ACD/KOC (pH 7.4): 1; (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: 1.524; (14)Molar Refractivity: 75.09 cm3; (15)Molar Volume: 245.1 cm3; (16)Polarizability: 29.76×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 219.7 °C; (20)Enthalpy of Vaporization: 73.42 kJ/mol; (21)Boiling Point: 439.6 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCc1ccccc1
(2)Std. InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

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