The Pentanoic acid,4-amino-5-[(4-nitrophenyl)amino]-5-oxo-, (4S)-, with the CAS registry number 24032-35-7, is also known as (S)-4-Amino-5-((4-nitrophenyl)amino)-5-oxovaleric acid. Its EINECS number is 245-994-9. This chemical's molecular formula is C11H13N3O5 and molecular weight is 267.238. Its systematic name name is called N-(4-nitrophenyl)-L-alpha-glutamine. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
Physical properties of Pentanoic acid,4-amino-5-[(4-nitrophenyl)amino]-5-oxo-, (4S)-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): -2.01; (3)ACD/LogD (pH 7.4): -2.07; (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: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 66.02 cm3; (13)Molar Volume: 182.5 cm3; (14)Surface Tension: 73.2 dyne/cm; (15)Density: 1.463 g/cm3; (16)Flash Point: 312.1 °C; (17)Enthalpy of Vaporization: 92.91 kJ/mol; (18)Boiling Point: 592.4 °C at 760 mmHg; (19)Vapour Pressure: 7.02E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](N)CCC(=O)O
(2)InChI: InChI=1/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
(3)InChIKey: JXQXNQKTUGNZLD-VIFPVBQEBW
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