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56636-90-9

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Basic Information
CAS No.: 56636-90-9
Name: 4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID
Molecular Structure:
Molecular Structure of 56636-90-9 (4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID)
Formula: C10H12N2O4
Molecular Weight: 224.216
Synonyms: 4-[(2-Nitrophenyl)amino]butanoic acid;4-(2-Nitroanilino)butanoate;
Density: 1.359 g/cm3
Boiling Point: 465.8 °C at 760 mmHg
Flash Point: 235.5 °C
PSA: 95.15000
LogP: 2.46770
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    4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID

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    4-[(2-NITROPHENYL)AMINO]BUTANOIC ACID

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  • Butanoic acid,4-[(2-nitrophenyl)amino]-

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    Butanoic acid,4-[(2-nitrophenyl)amino]-

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Specification

The Butanoic acid,4-[(2-nitrophenyl)amino]-, with the CAS registry number of 56636-90-9, is also known as 4-[(2-Nitrophenyl)amino]butanoic acid. The molecular formula of this chemical is C10H12N2O4 and its molecular weight is 224.2133. What's more, its IUPAC name is 4-(2-Nitroanilino)butanoate.

Physical properties about Butanoic acid,4-[(2-nitrophenyl)amino]- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.25; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 57.87 cm3; (15)Molar Volume: 164.8 cm3; (16)Polarizability: 22.94×10-24 cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 235.5 °C; (20)Enthalpy of Vaporization: 76.64 kJ/mol; (21)Boiling Point: 465.8 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1NCCCC(=O)O
(2) InChI: InChI=1/C10H12N2O4/c13-10(14)6-3-7-11-8-4-1-2-5-9(8)12(15)16/h1-2,4-5,11H,3,6-7H2,(H,13,14)
(3) InChIKey: AXVZVHGJXZEPLP-UHFFFAOYAS