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

Name
BOC-L-4,4'-BIPHENYLALANINE
EINECS
CAS No. 147923-08-8
Article Data6
CAS DataBase
Density 1.161 g/cm³
Solubility
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
Appearance
Safety 26-36
Risk Codes 20/22-38-41
Molecular Structure
Hazard Symbols Xn
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;
PSA
LogP

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

Product Name

BOC-L-4,4'-BIPHENYLALANINE

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

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