Name: Boc-D-2-pyridylalanine
SKU: 98266-32-1

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Basic Information

Molecular Structure:
CAS No.:	98266-32-1
Name:	Boc-D-2-pyridylalanine
Article Data:	3

Formula:	C₁₃H₁₈N₂O₄
Molecular Weight:	266.297
Synonyms:	(2R)-3-pyridin-2-yl-2-(tert-butoxycarbonylamino)propanoate;Boc-D-3-(2-Pyridyl)-alanine;Boc-D-2-Pal-OH;Boc-3-(2-Pyridyl)-D-alanine;Boc-D-3-(2-Pyridyl)alanine;N-tert-Butoxycarbonyl-D-3-(2-Pyridyl) Alanine;Boc-D-Ala(2-Pyri)-OH;BOC-D-3-(2-Puridyl)-alanine;
Density:	1.2 g/cm³
Melting Point:	145-152 °C
Boiling Point:	436.9 °C at 760 mmHg
Flash Point:	218 °C
Appearance:	White powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	88.52000
LogP:	1.99290

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Specification

The Boc-D-2-pyridylalanine, with the CAS registry number 98266-32-1, has the systematic name of N-(tert-butoxycarbonyl)-3-pyridin-2-yl-L-alanine. It is a kind of white power, and belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino. And it should be stored at 0-5°C. The molecular formula of the chemical is C₁₃H₁₈N₂O₄. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Boc-D-2-pyridylalanine are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.9; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.73 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 68.54 cm³; (15)Molar Volume: 221.8 cm³; (16)Polarizability: 27.17×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 218 °C; (20)Enthalpy of Vaporization: 73.09 kJ/mol; (21)Boiling Point: 436.9 °C at 760 mmHg; (22)Vapour Pressure: 2.09E-08 mmHg at 25°C.

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)Cc1ncccc1
(2)InChI: InChI=1/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1
(3)InChIKey: KMODKKCXWFNEIK-JTQLQIEIBJ