(S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid supplier

Name
(S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid
EINECS
CAS No. 17363-92-7
Article Data8
CAS DataBase
Density 1.366 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂O₅
Boiling Point 554.7 °C at 760 mmHg
Molecular Weight 252.227
Flash Point 289.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Acetyl-4-nitro-L-phenylalanine;N-Acetyl-L-p-nitrophenylalanine;
PSA 112.22000
LogP 1.64070

(S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid Specification

The (S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid is an organic compound with the formula C₁₁H₁₂N₂O₅. The systematic name of this chemical is N-acetyl-4-nitro-L-phenylalanine. With the CAS registry number 17363-92-7, it is also named as L-phenylalanine, N-acetyl-4-nitro-. The product's category is API Intermediates.

Physical properties about (S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid are: (1)ACD/LogP: 0.51; (2)ACD/LogD (pH 5.5): -1.9; (3)ACD/LogD (pH 7.4): -3.14; (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: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 92.43 Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 61.39 cm³; (14)Molar Volume: 184.5 cm³; (15)Polarizability: 24.33×10^-24cm³; (16)Surface Tension: 58.7 dyne/cm; (17)Density: 1.366 g/cm³; (18)Flash Point: 289.3 °C; (19)Enthalpy of Vaporization: 87.95 kJ/mol; (20)Boiling Point: 554.7 °C at 760 mmHg; (21)Vapour Pressure: 3.86E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C[C@H](NC(=O)C)C(=O)O
(2)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-/m0/s1
(3)InChIKey: SOPVYCYKWGPONA-JTQLQIEIBV
(4)Std. InChI: InChI=1S/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-/m0/s1
(5)Std. InChIKey: SOPVYCYKWGPONA-JTQLQIEISA-N

Product Name

(S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid

(S)-2-Acetamido-3-(4-nitrophenyl)propanoic acid Specification

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