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D-2-Cyanophenylalanine

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Name

D-2-Cyanophenylalanine

EINECS N/A
CAS No. 263396-41-4 Density 1.28 g/cm3
PSA 87.11000 LogP 1.21298
Solubility N/A Melting Point N/A
Formula C10H10N2O2 Boiling Point 375.7 °C at 760 mmHg
Molecular Weight 190.20 Flash Point 181 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 263396-41-4 (D-2-Cyanophenylalanine) Hazard Symbols N/A
Synonyms

(R)-2-Amino-3-(2-cyanophenyl)propionicacid;D-2-Cyanophenylalanine;

 

D-2-Cyanophenylalanine Specification

The D-Phenylalanine,2-cyano-, with CAS registry number 263396-41-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)A-amino. It has the systematic name of 2-cyano-L-phenylalanine. This chemical should be stored at the temperature of 0°C.

Physical properties of D-Phenylalanine,2-cyano-: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.99; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 50.45 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 20×10-24cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Enthalpy of Vaporization: 65.74 kJ/mol; (19)Vapour Pressure: 2.6E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1ccccc1C#N
(2)InChI: InChI=1/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
(3)InChIKey: OCDHPLVCNWBKJN-VIFPVBQEBM
(4)Std. InChI: InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
(5)Std. InChIKey: OCDHPLVCNWBKJN-VIFPVBQESA-N

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