L-Phenylalanine,2-nitro- (19883-75-1)

The L-Phenylalanine,2-nitro-, with the CAS registry number 19883-75-1, is also known as L-2-Nitrophe and L-2-Nitrophenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids. This chemical's molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.19. What's more, its IUPAC name is (2S)-2-Amino-3-(2-nitrophenyl)propanoic acid and systematic name is called 2-Nitro-L-phenylalanine.

Physical properties about L-Phenylalanine,2-nitro- are: (1) ACD/LogP: 0.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.65; (4) ACD/LogD (pH 7.4): -1.72; (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: 6; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 75.36 Å²; (13) Index of Refraction: 1.614; (14) Molar Refractivity: 52.03 cm³; (15) Molar Volume: 149.2 cm³; (16) Surface Tension: 67.1 dyne/cm; (17) Density: 1.408 g/cm³; (18) Flash Point: 186.9 °C; (19) Enthalpy of Vaporization: 66.89 kJ/mol; (20) Boiling Point: 385.4 °C at 760 mmHg; (21) Vapour Pressure: 1.25E-06 mmHg at 25 °C; (22) Melting Point: 206-208 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1C[C@H](N)C(=O)O
(2) InChI: InChI=1/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
(3) InChIKey: SDZGVFSSLGTJAJ-ZETCQYMHBL