Basic information
- Name:
D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-
- CAS No.:
205445-53-0
- Molecular Structure:
![Molecular Structure of 205445-53-0 (D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-)](http://www.lookchem.com/300w/2010/0619/205445-53-0.jpg)
- Formula:
- C14H17F2NO4
- Molecular Weight:
- 301.29
- Density:
- 1.27 g/cm3
- Boiling Point:
- 417.6 °C at 760 mmHg
- Flash Point:
- 206.4 °C
- Hazard Symbols:
Xi
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-, with CAS registry number 205445-53-0, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide. It has the systematic name of N-(tert-butoxycarbonyl)-3,5-difluoro-D-phenylalanine. This chemical should be stored at the temperature of 0°C.
Physical properties of D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-3,5-difluoro-: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.31; (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: 1.506; (14)Molar Refractivity: 70.44 cm3; (15)Molar Volume: 237 cm3; (16)Polarizability: 27.92×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 70.75 kJ/mol; (19)Vapour Pressure: 1.01E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
(3)InChIKey: CZBNUDVCRKSYDG-LLVKDONJBF
(4)Std. InChI: InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
(5)Std. InChIKey: CZBNUDVCRKSYDG-LLVKDONJSA-N