Boc-D-2-cyanophenylalanine supplier

Name
BOC-D-2-CYANOPHENYLALANINE
EINECS
CAS No. 261380-28-3
Article Data3
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₈N₂O₄
Boiling Point 480.34 °C at 760 mmHg
Molecular Weight 290.319
Flash Point 244.301 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms RARECHEM BK PT 0149;N-ALPHA-T-BUTOXYCARBONYL-D-(2-CYANOPHENYL)ALANINE;BOC-O-CYANO-D-PHE-OH;BOC-2-CYANO-D-PHENYLALANINE;BOC-D-2-CYANOPHE;BOC-D-2-CYANOPHENYLALANINE;BOC-D-PHE(2-CN)-OH;Boc-D-2-Cyano-phe-OH
PSA 99.42000
LogP 2.46958

Boc-D-2-cyanophenylalanine Specification

The D-Phenylalanine,2-cyano-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 261380-28-3, 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)-2-cyano-L-phenylalanine.

Physical properties of D-Phenylalanine,2-cyano-N-[(1,1-dimethylethoxy)carbonyl]-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.88; (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: 78.46 kJ/mol; (19)Vapour Pressure: 4.9E-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)Cc1ccccc1C#N
(2)InChI: InChI=1/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(3)InChIKey: AJHPGXZOIAYYDW-LBPRGKRZBK
(4)Std. InChI: InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(5)Std. InChIKey: AJHPGXZOIAYYDW-LBPRGKRZSA-N

Product Name

BOC-D-2-CYANOPHENYLALANINE

Boc-D-2-cyanophenylalanine Specification

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