CAS No.34276-53-4,ETHYL 4-NITRO-L-PHENYLALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34276-53-4
Name:	ETHYL 4-NITRO-L-PHENYLALANINE
Article Data:	3

Formula:	C₁₁H₁₄N₂O₄
Molecular Weight:	238.243
Synonyms:	(S)-2-Amino-3-(4-nitro-phenyl)-propionic acid ethyl ester;
Density:	1.246 g/cm³
Boiling Point:	372.1 °C at 760 mmHg
Flash Point:	178.9 °C
PSA:	98.14000
LogP:	2.25120

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Specification

The L-Phenylalanine,4-nitro-, ethyl ester, with the CAS registry number of 34276-53-4, is also known as (S)-2-Amino-3-(4-nitro-phenyl)-propionic acid ethyl ester. Its molecular formula is C₁₁H₁₄N₂O₄ and molecular weight is 238.2399. What's more, its systematic name is Ethyl 4-nitro-L-phenylalaninate.

Physical properties about the L-Phenylalanine,4-nitro-, ethyl ester are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.3; (7)ACD/KOC (pH 5.5): 11.57; (8)ACD/KOC (pH 7.4): 138.35; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.36 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 61.51 cm³; (15)Molar Volume: 191.1 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.246 g/cm³; (18)Flash Point: 178.9 °C; (19)Enthalpy of Vaporization: 61.92 kJ/mol; (20)Boiling Point: 372.1 °C at 760 mmHg; (21)Vapour Pressure: 9.83E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C[C@H](N)C(=O)OCC
(2) InChI: InChI=1/C11H14N2O4/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16/h3-6,10H,2,7,12H2,1H3/t10-/m0/s1
(3) InChIKey: BNIKYBDDYIQCEB-JTQLQIEIBV