Phenylalanine, 4-nitro-, methyl ester supplier

Name
4-NITRO-PHENYLALANINE METHYL ESTER
EINECS
CAS No. 85317-52-8
Article Data7
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂N₂O₄
Boiling Point 360 °C at 760 mmHg
Molecular Weight 224.216
Flash Point 171.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-nitrophenylalaninate;4-Nitrophenylalanine, methyl ester;
PSA 98.14000
LogP 1.86110

Phenylalanine, 4-nitro-, methyl ester Specification

The Phenylalanine, 4-nitro-, methyl ester, with the CAS registry number 85317-52-8, is also known as 4-Nitrophenylalanine, methyl ester. This chemical's molecular formula is C₁₀H₁₂N₂O₄ and molecular weight is 224.21. What's more, its systematic name is methyl 4-nitrophenylalaninate.

Physical properties of Phenylalanine, 4-nitro-, methyl ester are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.01; (7)ACD/KOC (pH 5.5): 8.33; (8)ACD/KOC (pH 7.4): 74.37; (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: 1.564; (14)Molar Refractivity: 56.88 cm³; (15)Molar Volume: 174.6 cm³; (16)Polarizability: 22.54×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 171.5 °C; (20)Enthalpy of Vaporization: 60.56 kJ/mol; (21)Boiling Point: 360 °C at 760 mmHg; (22)Vapour Pressure: 2.29E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CC(N)C(=O)OC
(2)InChI: InChI=1S/C10H12N2O4/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15/h2-5,9H,6,11H2,1H3
(3)InChIKey: FUFUQQWIXMPZFU-UHFFFAOYSA-N

Product Name

4-NITRO-PHENYLALANINE METHYL ESTER

Phenylalanine, 4-nitro-, methyl ester Specification

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