| Identification | |
| Name: | D-Phenylalanine,N-acetyl-4-nitro- |
| Synonyms: | N-acetyl-4-nitro-D-phenylalanine;D-phenylalanine, N-acetyl-4-nitro-;(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid; |
| CAS: | 89615-73-6 |
| Molecular Formula: | C11H12N2O5 |
| Molecular Weight: | 252.22 |
| InChI: | InChI=1/C11H12N2O5/c1-7(14)12-10(11(15)16)6-8-2-4-9(5-3-8)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/t10-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.366 g/cm3 |
| Refractive index: | 1.579 |
| Specification: |
The (R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid, with the CAS registry number 89615-73-6, has the systematic name of N-acetyl-4-nitro-D-phenylalanine. It belongs to the product category of API intermediates, and the molecular formula of the chemical is C11H12N2O5. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.9; (4)ACD/LogD (pH 7.4): -3.14; (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: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 92.43 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 61.39 cm3; (15)Molar Volume: 184.5 cm3; (16)Polarizability: 24.33×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 289.3 °C; (20)Enthalpy of Vaporization: 87.95 kJ/mol; (21)Boiling Point: 554.7 °C at 760 mmHg; (22)Vapour Pressure: 3.86E-13 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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