CAS No.263396-40-3,DL-2-Cyanophenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	263396-40-3
Name:	DL-2-Cyanophenylalanine

Formula:	C₁₀H₁₀N₂O₂
Molecular Weight:	190.20
Synonyms:	(2S)-2-Amino-3-(2-cyanophenyl)propanoic acid;DL-2-Cyanophenylalanine;
Density:	1.28 g/cm³
Boiling Point:	375.7 °C at 760 mmHg
Flash Point:	181 °C
PSA:	87.11000
LogP:	1.21298

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Specification

The 2-Cyano-dl-phenylalanine, with the CAS registry number 263396-40-3, is also known as (2S)-2-Amino-3-(2-cyanophenyl)propanoic acid. This chemical's molecular formula is C₁₀H₁₀N₂O₂ and molecular weight is 190.20. What's more, its systematic name is 2-Cyano-L-phenylalanine.

Physical properties of 2-Cyano-dl-phenylalanine are: (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^-24 cm³; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 181 °C; (20)Enthalpy of Vaporization: 65.74 kJ/mol; (21)Boiling Point: 375.7 °C at 760 mmHg; (22)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-VIFPVBQEB