Boc-D-3-cyanophenylalanine supplier

Name
BOC-D-3-CYANOPHENYLALANINE
EINECS
CAS No. 205445-56-3
Density 1.22g/cm³
Solubility
Melting Point
Formula C₁₅H₁₈N₂O₄
Boiling Point 485.4 °C at 760 mmHg
Molecular Weight 290.31
Flash Point 247.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boc-3-cyano-D-phenylalanine;(2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-cyanophenyl)propanoic acid;Boc-D-Phe(3-CN)-OH;(R)-2-((tert-Butoxycarbonyl)amino)-3-(3-cyanophenyl)propanoic acid;Boc-D-3-Cyanophenylalanine;
PSA 99.42000
LogP 2.46958

Boc-D-3-cyanophenylalanine Specification

The D-Phenylalanine,3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 205445-56-3, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of N-(tert-butoxycarbonyl)-3-cyano-L-phenylalanine. This chemical should be stored at the temperature of 0°C.

Physical properties of D-Phenylalanine,3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.15; (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: 79.63 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 75.5 cm³; (15)Molar Volume: 237.4 cm³; (16)Polarizability: 29.93×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Enthalpy of Vaporization: 79.09 kJ/mol; (19)Vapour Pressure: 3.09E-10 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)Cc1cccc(C#N)c1
(2)InChI: InChI=1/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(3)InChIKey: FDQDHMZKOPOWFE-LBPRGKRZBF
(4)Std. InChI: InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(5)Std. InChIKey: FDQDHMZKOPOWFE-LBPRGKRZSA-N

Product Name

BOC-D-3-CYANOPHENYLALANINE

Boc-D-3-cyanophenylalanine Specification

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