Basic information
- Name:
3-Nitro-L-phenylalanine
- CAS No.:
19883-74-0
- Molecular Structure:
- Formula:
- C9H10N2O4
- Molecular Weight:
- 210.1867
- Synonyms:
- L-3-NO2-Phe-OH;L-3-NITROPHENYLALANINE;3-Nitro-L- phenylalanine ,;2-amino-3-(3-nitrophenyl)propanoic acid;3-(hydroxy(oxido)amino)phenylalanine;
- Density:
- 1.408 g/cm3
- Boiling Point:
- 410.8 °C at 760 mmHg
- Flash Point:
- 202.3 °C
- Hazard Symbols:
Xi
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Specification
The 3-Nitro-L-phenylalanine, with the CAS registry number 19883-74-0, has the systematic name of 3-nitro-L-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids. And the molecular formula of this chemical is C9H10N2O4.
The physical properties of 3-Nitro-L-phenylalanine are as following: (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): -1.67; (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)Polarizability: 20.62×10-24cm3; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 69.93 kJ/mol; (21)Boiling Point: 410.8 °C at 760 mmHg; (22)Vapour Pressure: 1.74E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C[C@H](N)C(=O)O
(2)InChI: InChI=1/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: YTHDRUZHNYKZGF-QMMMGPOBBL
