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Boc-3-(4-Biphenylyl)-L-alanine

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Name

Boc-3-(4-Biphenylyl)-L-alanine

EINECS N/A
CAS No. 147923-08-8 Density 1.161 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 103-107 °C(lit.)
Formula C20H23NO4 Boiling Point 528.2 °C at 760 mmHg
Molecular Weight 341.407 Flash Point 273.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/22-38-41
Molecular Structure Molecular Structure of 147923-08-8 (BOC-L-4,4'-BIPHENYLALANINE) Hazard Symbols HarmfulXn
Synonyms

[1,1'-Biphenyl]-4-propanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(2S)-2-(tert-Butoxycarbonylamino)-3-(biphenyl-4-yl)propanoic acid;(S)-2-tert-Butoxycarbonylamino-3-(biphenyl-4-yl)propionic acid;N-tert-Butoxycarbonyl-(4-phenylphenyl)alanine;N-tert-Butoxycarbonyl-(S)-(4-biphenylyl)alanine;(2S)-3-biphenyl-4-yl-2-[(tert-butoxycarbonyl)amino]propanoic acid (non-preferred name);(2S)-3-(4-Biphenylyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (non-preferred name);4-Phenyl-D-phenylalanine, N-BOC protected;

Article Data 6

Boc-3-(4-Biphenylyl)-L-alanine Specification

The Boc-3-(4-Biphenylyl)-L-alanine, with the CAS registry number 147923-08-8, has the systematic name of (2S)-3-biphenyl-4-yl-2-[(tert-butoxycarbonyl)amino]propanoic acid (non-preferred name). It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Biphenyl & Diphenyl ether; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C20H23NO4.

The characteristics of Boc-3-(4-Biphenylyl)-L-alanine are as followings: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 19.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.41; (8)ACD/KOC (pH 7.4): 2.49; (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: 1.56; (14)Molar Refractivity: 95.04 cm3; (15)Molar Volume: 293.9 cm3; (16)Polarizability: 37.68×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 273.2 °C; (20)Enthalpy of Vaporization: 84.52 kJ/mol; (21)Boiling Point: 528.2 °C at 760 mmHg; (22)Vapour Pressure: 5.5E-12 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to the skin, and may cause serious damage to eyes. It is also harmful by inhalation and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
   
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
(3)InChIKey: NBVVKAUSAGHTSU-KRWDZBQOBG

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