L-KYNURENINE

The L-Kynurenine, with the CAS registry number 2922-83-0, is also known as Kynurenine, L-. It belongs to the product categories of Amino Acids; Biochemistry; non-Proteinorganic Amino Acids; Amino Acids. This chemical's molecular formula is C₁₀H₁₂N₂O₃ and molecular weight is 208.21. Its IUPAC name is called (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of L-Kynurenine: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.55; (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: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 54.84 cm³; (14)Molar Volume: 154.9 cm³; (15)Surface Tension: 68.7 dyne/cm; (16)Density: 1.343 g/cm³; (17)Flash Point: 236 °C; (18)Enthalpy of Vaporization: 76.74 kJ/mol; (19)Boiling Point: 466.6 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-09 mmHg at 25°C.

Preparation of L-Kynurenine: this chemical can be prepared by (2S)-Methyl 2-(N-tert-butoxycarbonylamino)-4-oxo-4-(2'-aminophenyl)butanoate. This reaction will need reagents 30percent HBr, AcOH and propylene oxide. The yield is about 90%.

Uses of L-Kynurenine: it can be used to produce 5,6-dihydro-4H-pyrido[2,3,4-κl]acridine-2-carboxylic acid with cyclohexane-1,3-dione by heating. This reaction will need reagents AcOH and sodium m-nitrophenylsulfonate with reaction time of 1 hour. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N
(2)Isomeric SMILES: C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N
(3)InChI: InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
(4)InChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-N