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Name |
D-2-Nitrophenylalanine |
EINECS | N/A |
CAS No. | 169383-17-9 | Density | 1.408 g/cm3 |
PSA | 109.14000 | LogP | 1.77270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10N2O4 | Boiling Point | 385.371 °C at 760 mmHg |
Molecular Weight | 210.189 | Flash Point | 186.866 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
D-2-Nitrophenylalanine;2-Nitro-D-phenylalanine; |
Article Data | 6 |
The CAS register number of D-2-Nitrophenylalanine is 169383-17-9. It also can be called as 2-Nitro-D-phenylalanine and the systematic name about this chemical is (2R)-2-ammonio-3-(2-nitrophenyl)propanoate. The molecular formula about this chemical is C9H10N2O4 and the molecular weight is 210.19. It belongs to the following product categories, such as Amino Acids; PhenylAlAnine AnAlogs and other AromAtic AlphA Amino Acids and so on.
Physical properties about D-2-Nitrophenylalanine are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -1.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 83.12Å2; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 52.03 cm3; (14)Molar Volume: 149.2 cm3; (15)Polarizability: 20.62x10-24cm3; (16)Surface Tension: 67.1 dyne/cm; (17)Enthalpy of Vaporization: 66.89 kJ/mol; (18)Boiling Point: 385.4 °C at 760 mmHg; (19)Vapour Pressure: 1.25E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C[C@H](C([O-])=O)[NH3+]
(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-/m1/s1
(3)InChIKey: SDZGVFSSLGTJAJ-SSDOTTSWBJ
(4)Std. InChI: InChI=1S/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-/m1/s1
(5)Std. InChIKey: SDZGVFSSLGTJAJ-SSDOTTSWSA-N