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| CAS No.: | 169383-17-9 |
|---|---|
| Name: | D-2-NITROPHENYLALANINE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H10N2O4 |
| Molecular Weight: | 210.189 |
| Synonyms: | D-2-Nitrophenylalanine;2-Nitro-D-phenylalanine; |
| Density: | 1.408 g/cm3 |
| Boiling Point: | 385.371 °C at 760 mmHg |
| Flash Point: | 186.866 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 109.14000 |
| LogP: | 1.77270 |
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- Total:31 Page 1 of 1 1
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Specification
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